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[3-carboxy-4-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)phenyl]-(sulfanylmethylidene)azanium

[3-carboxy-4-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)phenyl]-(sulfanylmethylidene)azanium

Systemtic Name:[3-carboxy-4-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)phenyl]-(sulfanylmethylidene)azanium
Openeye Name:[3-carboxy-4-(3-hydroxy-6-oxo-xanthen-9-yl)phenyl]-(sulfanylmethylene)ammonium
CAS Name:[3-carboxy-4-(3-hydroxy-6-oxo-9-xanthenyl)phenyl]-(mercaptomethylidene)ammonium
IUPAC Name:[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)phenyl]-(sulfanylmethylidene)azanium
Traditional Name:[3-carboxy-4-(3-hydroxy-6-keto-xanthen-9-yl)phenyl]-(mercaptomethylene)ammonium
Formula: C21H14NO5S+
MolecularWeight: 392.40456
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[NH+]=CS)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O


Isomeric SMILES

C1=CC(=C(C=C1[NH+]=CS)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O


InChI

InChI=1S/C21H13NO5S/c23-12-2-5-15-18(8-12)27-19-9-13(24)3-6-16(19)20(15)14-4-1-11(22-10-28)7-17(14)21(25)26/h1-10,23H,(H,22,28)(H,25,26)/p+1


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