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

Systemtic Name: methyl 7-methylsulfanyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: methyl 7-methylsulfanyl-9-oxo-xanthene-2-carboxylate CAS Name: 7-(methylthio)-9-oxo-2-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 7-methylsulfanyl-9-oxoxanthene-2-carboxylate Traditional Name: 9-keto-7-(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=C(C=C3)SC

Isomeric SMILES

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

InChI

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