methyl 3-(2,4-dimethylphenyl)-5-methyl-4-oxidanylidene-5-sulfanyl-heptanoate

Systemtic Name: methyl 3-(2,4-dimethylphenyl)-5-methyl-4-oxidanylidene-5-sulfanyl-heptanoate Openeye Name: methyl 3-(2,4-dimethylphenyl)-5-methyl-4-oxo-5-sulfanyl-heptanoate CAS Name: 3-(2,4-dimethylphenyl)-5-mercapto-5-methyl-4-oxoheptanoic acid methyl ester IUPAC Name: methyl 3-(2,4-dimethylphenyl)-5-methyl-4-oxo-5-sulfanylheptanoate Traditional Name: 3-(2,4-dimethylphenyl)-4-keto-5-mercapto-5-methyl-enanthic acid methyl ester Formula: C17H24O3S MolecularWeight: 308.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O3S/c1-6-17(4,21)16(19)14(10-15(18)20-5)13-8-7-11(2)9-12(13)3/h7-9,14,21H,6,10H2,1-5H3