dimethyl 3-methyl-5-oxidanyl-4-phenylsulfanyl-benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-oxidanyl-4-phenylsulfanyl-benzene-1,2-dicarboxylate Openeye Name: dimethyl 5-hydroxy-3-methyl-4-phenylsulfanyl-benzene-1,2-dicarboxylate CAS Name: 5-hydroxy-3-methyl-4-(phenylthio)benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-hydroxy-3-methyl-4-phenylsulfanylbenzene-1,2-dicarboxylate Traditional Name: 5-hydroxy-3-methyl-4-(phenylthio)benzene-1,2-dicarboxylic acid dimethyl ester Formula: C17H16O5S MolecularWeight: 332.37094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1SC2=CC=CC=C2)O)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC(=C1SC2=CC=CC=C2)O)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H16O5S/c1-10-14(17(20)22-3)12(16(19)21-2)9-13(18)15(10)23-11-7-5-4-6-8-11/h4-9,18H,1-3H3