methyl 6-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: methyl 6-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: methyl 6-methylsulfanyl-9-oxo-xanthene-2-carboxylate CAS Name: 6-(methylthio)-9-oxo-2-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 6-methylsulfanyl-9-oxoxanthene-2-carboxylate Traditional Name: 9-keto-6-(methylthio)xanthene-2-carboxylic acid methyl ester Formula: C16H12O4S MolecularWeight: 300.32908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)SC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)SC

InChI

InChI=1S/C16H12O4S/c1-19-16(18)9-3-6-13-12(7-9)15(17)11-5-4-10(21-2)8-14(11)20-13/h3-8H,1-2H3