2-(4-ethyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-sulfanyl-benzoic acid

Systemtic Name: 2-(4-ethyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-sulfanyl-benzoic acid Openeye Name: 2-(4-ethyl-3-hydroxy-6-oxo-xanthen-9-yl)-5-sulfanyl-benzoic acid CAS Name: 2-(4-ethyl-3-hydroxy-6-oxo-9-xanthenyl)-5-mercaptobenzoic acid IUPAC Name: 2-(4-ethyl-3-hydroxy-6-oxoxanthen-9-yl)-5-sulfanylbenzoic acid Traditional Name: 2-(4-ethyl-3-hydroxy-6-keto-xanthen-9-yl)-5-mercapto-benzoic acid Formula: C22H16O5S MolecularWeight: 392.42444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1OC3=CC(=O)C=CC3=C2C4=C(C=C(C=C4)S)C(=O)O)O

Isomeric SMILES

CCC1=C(C=CC2=C1OC3=CC(=O)C=CC3=C2C4=C(C=C(C=C4)S)C(=O)O)O

InChI

InChI=1S/C22H16O5S/c1-2-13-18(24)8-7-16-20(14-6-4-12(28)10-17(14)22(25)26)15-5-3-11(23)9-19(15)27-21(13)16/h3-10,24,28H,2H2,1H3,(H,25,26)