dimethyl 2,2-dimethyl-4-oxidanylidene-3-phenylsulfanyl-pentanedioate

Systemtic Name: dimethyl 2,2-dimethyl-4-oxidanylidene-3-phenylsulfanyl-pentanedioate Openeye Name: dimethyl 2,2-dimethyl-4-oxo-3-phenylsulfanyl-pentanedioate CAS Name: 2,2-dimethyl-4-oxo-3-(phenylthio)pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2,2-dimethyl-4-oxo-3-phenylsulfanylpentanedioate Traditional Name: 4-keto-2,2-dimethyl-3-(phenylthio)glutaric acid dimethyl ester Formula: C15H18O5S MolecularWeight: 310.36542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)C(=O)OC)SC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(C)(C(C(=O)C(=O)OC)SC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C15H18O5S/c1-15(2,14(18)20-4)12(11(16)13(17)19-3)21-10-8-6-5-7-9-10/h5-9,12H,1-4H3