dimethyl 4-phenylsulfanylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 4-phenylsulfanylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 4-phenylsulfanylbenzene-1,3-dicarboxylate CAS Name: 4-(phenylthio)benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-phenylsulfanylbenzene-1,3-dicarboxylate Traditional Name: 4-(phenylthio)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H14O4S/c1-19-15(17)11-8-9-14(13(10-11)16(18)20-2)21-12-6-4-3-5-7-12/h3-10H,1-2H3