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

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

Isomeric SMILES

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

InChI

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