methyl 2,2-dimethyl-5-oxidanylidene-6-phenylsulfanyl-hexanoate

Systemtic Name: methyl 2,2-dimethyl-5-oxidanylidene-6-phenylsulfanyl-hexanoate Openeye Name: methyl 2,2-dimethyl-5-oxo-6-phenylsulfanyl-hexanoate CAS Name: 2,2-dimethyl-5-oxo-6-(phenylthio)hexanoic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-5-oxo-6-phenylsulfanylhexanoate Traditional Name: 5-keto-2,2-dimethyl-6-(phenylthio)hexanoic acid methyl ester Formula: C15H20O3S MolecularWeight: 280.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(=O)CSC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(C)(CCC(=O)CSC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C15H20O3S/c1-15(2,14(17)18-3)10-9-12(16)11-19-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3