2-(2,7-dimethyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-sulfanyl-benzoic acid

Systemtic Name: 2-(2,7-dimethyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-sulfanyl-benzoic acid Openeye Name: 2-(3-hydroxy-2,7-dimethyl-6-oxo-xanthen-9-yl)-5-sulfanyl-benzoic acid CAS Name: 2-(3-hydroxy-2,7-dimethyl-6-oxo-9-xanthenyl)-5-mercaptobenzoic acid IUPAC Name: 2-(3-hydroxy-2,7-dimethyl-6-oxoxanthen-9-yl)-5-sulfanylbenzoic acid Traditional Name: 2-(3-hydroxy-6-keto-2,7-dimethyl-xanthen-9-yl)-5-mercapto-benzoic acid Formula: C22H16O5S MolecularWeight: 392.42444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)O)C)C4=C(C=C(C=C4)S)C(=O)O

Isomeric SMILES

CC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)O)C)C4=C(C=C(C=C4)S)C(=O)O

InChI

InChI=1S/C22H16O5S/c1-10-5-15-19(8-17(10)23)27-20-9-18(24)11(2)6-16(20)21(15)13-4-3-12(28)7-14(13)22(25)26/h3-9,23,28H,1-2H3,(H,25,26)