Graph preview: 0 of up to 100 nodes shown.
Graph preview: 0 of up to 100 nodes shown.

Tab counts show list preview rows. Graph preview may show more nodes, up to 100. Export generates the full dataset subject to format and size limits.

Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
10 steps
Depiction
Dead-End Product
OKKJLVBELUTLKV-UHFFFAOYSA-N
Methanol
CO
Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
6 steps
Depiction
Dead-End Product
BDAGIHXWWSANSR-UHFFFAOYSA-N
Formic Acid
OC=O
Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
6 steps
Depiction
Dead-End Product
BVKZGUZCCUSVTD-UHFFFAOYSA-N
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
6 steps
Depiction
Dead-End Product
MUBZPKHOEPUJKR-UHFFFAOYSA-N
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
10 steps
Depiction
Dead-End Product
CKFGINPQOCXMAZ-UHFFFAOYSA-N
Methanediol
C(O)O
Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
10 steps
Depiction
Dead-End Product
VNWKTOKETHGBQD-UHFFFAOYSA-N
Methane
C
Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
8 steps
Depiction
Dead-End Product
HEPCJCVNHBXRBO-UHFFFAOYSA-N
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
14 steps
Depiction
Dead-End Product
RBBOAWUPWQANPY-UHFFFAOYSA-N
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
14 steps
Depiction
Dead-End Product
YPOPNBBFFROUGR-UHFFFAOYSA-N
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
19 steps
Depiction
Dead-End Product
LJDZFAPLPVPTBD-UHFFFAOYSA-M
CID 22568690
C([N+](=O)[O-])([O-])=O

Previewing top 10 entries. If you want the full results, please use the download button above.

Depiction
Upstream Precursor
NRGDCPDGFZEUSG-UHFFFAOYSA-N
CCC(=CC1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)C=C3N(C4=C(S3=O)C…
Depth 1
Depiction
Product
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
Depiction
Upstream Precursor
HAUOYFBINMRVPQ-UHFFFAOYSA-N
CCC(=CC1N(C2=C(S1=O)C=CC(=C2)Cl)CCCS(=O)(=O)O)C=C3N(C4=C(S3)C…
Depth 1
Depiction
Product
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
Depiction
Upstream Precursor
UIFKYTCUBTWHOY-UHFFFAOYSA-O
CCC(=CC1N(C2=C([S+]1Cl)C=CC(=C2)Cl)CCCS(=O)(=O)O)C=C3N(C4=C(S…
Depth 2
Depiction
Product
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
Depiction
Upstream Precursor
NHRDJZRWABHYHV-UHFFFAOYSA-O
CCC(=CC1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)C=C3N(C4=C([S+]3C…
Depth 2
Depiction
Product
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
Depiction
Upstream Precursor
MWIPXEVNLIFNJR-UHFFFAOYSA-N
CCC(=CC1[N+](C2=C(S1)C=CC(=C2)Cl)(CCCS(=O)(=O)O)[O-])C=C3N(C4…
Depth 1
Depiction
Product
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
Depiction
Upstream Precursor
VEXCAAFOZOKNNI-UHFFFAOYSA-N
CCC(=CC1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)C=C3[N+](C4=C(S3)…
Depth 1
Depiction
Product
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…

Previewing top 6 entries. If you want the full results, please use the download button above.

Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
Depth 3
Depiction
Downstream Successor
QTBSBXVTEAMEQO-UHFFFAOYSA-N
Acetic Acid
CC(=O)O
Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
Depth 3
Depiction
Downstream Successor
ALRHLSYJTWAHJZ-UHFFFAOYSA-N
3-Hydroxypropionic acid
C(CCO)(=O)O
Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
Depth 1
Depiction
Downstream Successor
OAKURXIZZOAYBC-UHFFFAOYSA-N
3-Oxopropanoic acid
OC(=O)CC=O
Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
Depth 1
Depiction
Downstream Successor
CZJYONJVHLMKCY-UHFFFAOYSA-N
3-Sulfopropionaldehyde
C(C=O)CS(=O)(=O)O
Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
Depth 2
Depiction
Downstream Successor
OFOBLEOULBTSOW-UHFFFAOYSA-N
Malonic Acid
OC(=O)CC(=O)O
Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
Depth 3
Depiction
Downstream Successor
CXMBJBCPGQIVET-UHFFFAOYSA-N
3-Sulfanylbenzene-1,2-diol
OC1=C(C(=CC=C1)S)O
Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
Depth 2
Depiction
Downstream Successor
WQPMYSHJKXVTME-UHFFFAOYSA-N
1-Propanesulfonic acid, 3-hydroxy-
OCCCS(=O)(=O)O
Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
Depth 2
Depiction
Downstream Successor
LTOHMSGDQPDLRA-UHFFFAOYSA-N
SC1=CC=C(C(=C1O)O)Cl
Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
Depth 3
Depiction
Downstream Successor
AVZAEFXPTVSXQE-UHFFFAOYSA-N
4-Sulfanylbenzene-1,2,3-triol
Sc1ccc(c(c1O)O)O
Depiction
Precursor
BVDIJGJGMDUCHA-AZNIMHGRSA-N
3-[2-[(E)-2-[(Z)-[3-(2-carboxyethyl)-5-chloro-1,3-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chloro-2H-1,3-benzothiazol-1-ium-3-yl]propane-1-sulfonate
CC/C(=C\C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O)/C=C\3/N(C4=C(S…
Depth 2
Depiction
Downstream Successor
SNKZJIOFVMKAOJ-UHFFFAOYSA-N
Tramiprosate
NCCCS(=O)(=O)O

Previewing top 10 entries. If you want the full results, please use the download button above.

No Original Precursors

No entries were found for this section with the current query and depth.

Search with another depth
or Explore another compound
Higher depth reveals distant relationships but increases loading time.