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Depiction
Upstream Precursor
DBMJQEHWZMGJTQ-UHFFFAOYSA-O
4-[5,6-Dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-2,3-dihydrobenzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CCN1C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3[NH+](C4=C…
Depth 1
Depiction
Product
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depiction
Upstream Precursor
OHQZTKOGBNRSFN-UHFFFAOYSA-N
CCN1C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=CC(=C…
Depth 2
Depiction
Product
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depiction
Upstream Precursor
DBHVFRBVXJWAKQ-UHFFFAOYSA-N
CCN1C([N+](C2=CC(=C(C=C21)Cl)Cl)(CCCCS(=O)(=O)O)[O-])C=CC=C3N…
Depth 2
Depiction
Product
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depiction
Upstream Precursor
UKRVLEOMLHFUJJ-UHFFFAOYSA-N
CCN1C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3[N+](C4=CC…
Depth 2
Depiction
Product
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depiction
Upstream Precursor
OAZSEMADYWDWOK-UHFFFAOYSA-N
CCN1C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3[N+](C4=CC…
Depth 3
Depiction
Product
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depiction
Upstream Precursor
CVBSSJNCTFQHHS-UHFFFAOYSA-N
CCN1C([N+](C2=CC(=C(C=C21)Cl)Cl)(CCCCS(=O)(=O)O)[O-])C=CC=C3[…
Depth 3
Depiction
Product
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depiction
Upstream Precursor
GCAXDISHQOUTNE-UHFFFAOYSA-N
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depth 1
Depiction
Product
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depiction
Upstream Precursor
JSAQRTJRRDCSIP-UHFFFAOYSA-N
CCN1C([N+](C2=CC(=C(C=C21)Cl)Cl)(CCCCS(=O)(=O)O)[O-])C=CC=C3N…
Depth 3
Depiction
Product
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depiction
Upstream Precursor
FJXDYXIEHVAUNG-UHFFFAOYSA-N
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3[N+](C…
Depth 1
Depiction
Product
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depiction
Upstream Precursor
MSTCOKUBTKMBPH-UHFFFAOYSA-N
CC[N+]1(C([N+](C2=CC(=C(C=C21)Cl)Cl)(CCCCS(=O)(=O)O)[O-])C=CC…
Depth 1
Depiction
Product
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…

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Depiction
Precursor
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depth 2
Depiction
Downstream Successor
QTBSBXVTEAMEQO-UHFFFAOYSA-N
Acetic Acid
CC(=O)O
Depiction
Precursor
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depth 1
Depiction
Downstream Successor
IKHGUXGNUITLKF-UHFFFAOYSA-N
Acetaldehyde
C(C)=O
Depiction
Precursor
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depth 2
Depiction
Downstream Successor
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Ethanol
C(C)O
Depiction
Precursor
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depth 2
Depiction
Downstream Successor
QSKPIOLLBIHNAC-UHFFFAOYSA-N
Chloroacetaldehyde
O=CCCl
Depiction
Precursor
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depth 1
Depiction
Downstream Successor
SLPCAYLNMBIEGH-UHFFFAOYSA-N
4-Oxobutane-1-sulfonic acid
C(CCS(=O)(=O)O)C=O
Depiction
Precursor
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depth 3
Depiction
Downstream Successor
UIUJIQZEACWQSV-UHFFFAOYSA-N
4-Oxobutanoic acid
O=CCCC(O)=O
Depiction
Precursor
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depth 3
Depiction
Downstream Successor
DZQLQEYLEYWJIB-UHFFFAOYSA-N
4-Aminobutanal
C(CC=O)CN
Depiction
Precursor
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depth 3
Depiction
Downstream Successor
YEGPVWSPNYPPIK-UHFFFAOYSA-N
4-Hydroxy-1-butanesulfonic acid
OCCCCS(=O)(=O)O
Depiction
Precursor
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depth 1
Depiction
Downstream Successor
DBMJQEHWZMGJTQ-UHFFFAOYSA-O
4-[5,6-Dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-2,3-dihydrobenzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CCN1C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3[NH+](C4=C…
Depiction
Precursor
BFRMGIKENDNOKF-UHFFFAOYSA-N
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-3-oxido-2H-benzimidazol-3-ium-1-yl]butane-1-sulfonic acid
CC[N+]1(C(N(C2=CC(=C(C=C21)Cl)Cl)CCCCS(=O)(=O)O)C=CC=C3N(C4=C…
Depth 2
Depiction
Downstream Successor
KNILZINKISHVIQ-UHFFFAOYSA-N
4-Aminobutanesulfonic acid
NCCCCS(=O)(=O)O

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