4-(3,5-dimethylphenyl)sulfanylbutanoate

Systemtic Name: 4-(3,5-dimethylphenyl)sulfanylbutanoate Openeye Name: 4-(3,5-dimethylphenyl)sulfanylbutanoate CAS Name: 4-[(3,5-dimethylphenyl)thio]butanoate IUPAC Name: 4-(3,5-dimethylphenyl)sulfanylbutanoate Traditional Name: 4-[(3,5-dimethylphenyl)thio]butyrate Formula: C12H15O2S- MolecularWeight: 223.3113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SCCCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)SCCCC(=O)[O-])C

InChI

InChI=1S/C12H16O2S/c1-9-6-10(2)8-11(7-9)15-5-3-4-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14)/p-1