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

Systemtic Name: 2-(2,7-diethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-sulfanyl-benzoic acid Openeye Name: 2-(2,7-diethoxy-3-hydroxy-6-oxo-xanthen-9-yl)-5-sulfanyl-benzoic acid CAS Name: 2-(2,7-diethoxy-3-hydroxy-6-oxo-9-xanthenyl)-5-mercaptobenzoic acid IUPAC Name: 2-(2,7-diethoxy-3-hydroxy-6-oxoxanthen-9-yl)-5-sulfanylbenzoic acid Traditional Name: 2-(2,7-diethoxy-3-hydroxy-6-keto-xanthen-9-yl)-5-mercapto-benzoic acid Formula: C24H20O7S MolecularWeight: 452.4764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)O)OCC)C4=C(C=C(C=C4)S)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)O)OCC)C4=C(C=C(C=C4)S)C(=O)O

InChI

InChI=1S/C24H20O7S/c1-3-29-21-8-15-19(10-17(21)25)31-20-11-18(26)22(30-4-2)9-16(20)23(15)13-6-5-12(32)7-14(13)24(27)28/h5-11,25,32H,3-4H2,1-2H3,(H,27,28)