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2-[3-oxidanyl-6-oxidanylidene-4,5-bis(sulfanyl)xanthen-9-yl]benzoic acid

2-[3-oxidanyl-6-oxidanylidene-4,5-bis(sulfanyl)xanthen-9-yl]benzoic acid

Systemtic Name:2-[3-oxidanyl-6-oxidanylidene-4,5-bis(sulfanyl)xanthen-9-yl]benzoic acid
Openeye Name:2-[3-hydroxy-6-oxo-4,5-bis(sulfanyl)xanthen-9-yl]benzoic acid
CAS Name:2-(3-hydroxy-4,5-dimercapto-6-oxo-9-xanthenyl)benzoic acid
IUPAC Name:2-[3-hydroxy-6-oxo-4,5-bis(sulfanyl)xanthen-9-yl]benzoic acid
Traditional Name:2-(3-hydroxy-6-keto-4,5-dimercapto-xanthen-9-yl)benzoic acid
Formula: C20H12O5S2
MolecularWeight: 396.43628
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4S)O)S)C(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4S)O)S)C(=O)O


InChI

InChI=1S/C20H12O5S2/c21-13-7-5-11-15(9-3-1-2-4-10(9)20(23)24)12-6-8-14(22)19(27)17(12)25-16(11)18(13)26/h1-8,21,26-27H,(H,23,24)


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