2-(3,4-dimethylphenyl)-3-methyl-butanethioic S-acid

Systemtic Name: 2-(3,4-dimethylphenyl)-3-methyl-butanethioic S-acid Openeye Name: 2-(3,4-dimethylphenyl)-3-methyl-butanethioic S-acid CAS Name: 2-(3,4-dimethylphenyl)-3-methylbutanethioic S-acid IUPAC Name: 2-(3,4-dimethylphenyl)-3-methylbutanethioic S-acid Traditional Name: 2-(3,4-dimethylphenyl)-3-methyl-thiobutyric acid Formula: C13H18OS MolecularWeight: 222.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C(C)C)C(=O)S)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C(C)C)C(=O)S)C

InChI

InChI=1S/C13H18OS/c1-8(2)12(13(14)15)11-6-5-9(3)10(4)7-11/h5-8,12H,1-4H3,(H,14,15)