methyl 2,2-dimethyl-4-oxidanylidene-5-(2-propan-2-ylphenyl)sulfanyl-pentanoate

Systemtic Name: methyl 2,2-dimethyl-4-oxidanylidene-5-(2-propan-2-ylphenyl)sulfanyl-pentanoate Openeye Name: methyl 5-(2-isopropylphenyl)sulfanyl-2,2-dimethyl-4-oxo-pentanoate CAS Name: 2,2-dimethyl-4-oxo-5-[(2-propan-2-ylphenyl)thio]pentanoic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-4-oxo-5-(2-propan-2-ylphenyl)sulfanylpentanoate Traditional Name: 4-keto-2,2-dimethyl-5-(o-cumenylthio)valeric acid methyl ester Formula: C17H24O3S MolecularWeight: 308.43566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SCC(=O)CC(C)(C)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1SCC(=O)CC(C)(C)C(=O)OC

InChI

InChI=1S/C17H24O3S/c1-12(2)14-8-6-7-9-15(14)21-11-13(18)10-17(3,4)16(19)20-5/h6-9,12H,10-11H2,1-5H3