(3,3-dimethyl-2-oxidanylidene-butyl) 2-(phenylmethylsulfanyl)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(phenylmethylsulfanyl)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-benzylsulfanylbenzoate CAS Name: 2-(phenylmethylthio)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-benzylsulfanylbenzoate Traditional Name: 2-(benzylthio)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H22O3S MolecularWeight: 342.45188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC2=CC=CC=C2

InChI

InChI=1S/C20H22O3S/c1-20(2,3)18(21)13-23-19(22)16-11-7-8-12-17(16)24-14-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3