methyl 7-methylsulfanyl-5-oxidanyl-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: methyl 7-methylsulfanyl-5-oxidanyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: methyl 5-hydroxy-7-methylsulfanyl-9-oxo-xanthene-2-carboxylate CAS Name: 5-hydroxy-7-(methylthio)-9-oxo-2-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-7-methylsulfanyl-9-oxoxanthene-2-carboxylate Traditional Name: 5-hydroxy-9-keto-7-(methylthio)xanthene-2-carboxylic acid methyl ester Formula: C16H12O5S MolecularWeight: 316.32848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC3=C(C=C(C=C3C2=O)SC)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC3=C(C=C(C=C3C2=O)SC)O

InChI

InChI=1S/C16H12O5S/c1-20-16(19)8-3-4-13-10(5-8)14(18)11-6-9(22-2)7-12(17)15(11)21-13/h3-7,17H,1-2H3