dimethyl 3-oxidanyl-4-phenylsulfanyl-benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 3-oxidanyl-4-phenylsulfanyl-benzene-1,2-dicarboxylate Openeye Name: dimethyl 3-hydroxy-4-phenylsulfanyl-benzene-1,2-dicarboxylate CAS Name: 3-hydroxy-4-(phenylthio)benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-hydroxy-4-phenylsulfanylbenzene-1,2-dicarboxylate Traditional Name: 3-hydroxy-4-(phenylthio)benzene-1,2-dicarboxylic acid dimethyl ester Formula: C16H14O5S MolecularWeight: 318.34436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14O5S/c1-20-15(18)11-8-9-12(14(17)13(11)16(19)21-2)22-10-6-4-3-5-7-10/h3-9,17H,1-2H3