methyl 4-[6-(2,4-dimethylphenyl)hexylsulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-[6-(2,4-dimethylphenyl)hexylsulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 4-[6-(2,4-dimethylphenyl)hexylsulfanyl]-3-oxo-butanoate CAS Name: 4-[6-(2,4-dimethylphenyl)hexylthio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[6-(2,4-dimethylphenyl)hexylsulfanyl]-3-oxobutanoate Traditional Name: 4-[6-(2,4-dimethylphenyl)hexylthio]-3-keto-butyric acid methyl ester Formula: C19H28O3S MolecularWeight: 336.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCCCCCSCC(=O)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCCCCCSCC(=O)CC(=O)OC)C

InChI

InChI=1S/C19H28O3S/c1-15-9-10-17(16(2)12-15)8-6-4-5-7-11-23-14-18(20)13-19(21)22-3/h9-10,12H,4-8,11,13-14H2,1-3H3