sulfanyl 6,6-dimethyl-4-oxidanylidene-2-(phenylmethyl)heptanoate

Systemtic Name: sulfanyl 6,6-dimethyl-4-oxidanylidene-2-(phenylmethyl)heptanoate Openeye Name: sulfanyl 2-benzyl-6,6-dimethyl-4-oxo-heptanoate CAS Name: 6,6-dimethyl-4-oxo-2-(phenylmethyl)heptanoic acid mercapto ester IUPAC Name: sulfanyl 2-benzyl-6,6-dimethyl-4-oxoheptanoate Traditional Name: 2-benzyl-4-keto-6,6-dimethyl-enanthic acid mercapto ester Formula: C16H22O3S MolecularWeight: 294.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)CC(CC1=CC=CC=C1)C(=O)OS

Isomeric SMILES

CC(C)(C)CC(=O)CC(CC1=CC=CC=C1)C(=O)OS

InChI

InChI=1S/C16H22O3S/c1-16(2,3)11-14(17)10-13(15(18)19-20)9-12-7-5-4-6-8-12/h4-8,13,20H,9-11H2,1-3H3