dimethyl 4-oxidanylidene-5-phenylsulfanyl-cyclohexane-1,3-dicarboxylate

Systemtic Name: dimethyl 4-oxidanylidene-5-phenylsulfanyl-cyclohexane-1,3-dicarboxylate Openeye Name: dimethyl 4-oxo-5-phenylsulfanyl-cyclohexane-1,3-dicarboxylate CAS Name: 4-oxo-5-(phenylthio)cyclohexane-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-oxo-5-phenylsulfanylcyclohexane-1,3-dicarboxylate Traditional Name: 4-keto-5-(phenylthio)cyclohexane-1,3-dicarboxylic acid dimethyl ester Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C(=O)C(C1)SC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1CC(C(=O)C(C1)SC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H18O5S/c1-20-15(18)10-8-12(16(19)21-2)14(17)13(9-10)22-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3