methyl 4-(3,4-dimethylphenyl)sulfanylbutanoate

Systemtic Name: methyl 4-(3,4-dimethylphenyl)sulfanylbutanoate Openeye Name: methyl 4-(3,4-dimethylphenyl)sulfanylbutanoate CAS Name: 4-[(3,4-dimethylphenyl)thio]butanoic acid methyl ester IUPAC Name: methyl 4-(3,4-dimethylphenyl)sulfanylbutanoate Traditional Name: 4-[(3,4-dimethylphenyl)thio]butyric acid methyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCCC(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCCC(=O)OC)C

InChI

InChI=1S/C13H18O2S/c1-10-6-7-12(9-11(10)2)16-8-4-5-13(14)15-3/h6-7,9H,4-5,8H2,1-3H3