2-(3,5-dimethylphenyl)sulfanyl-2-methyl-propanoate

Systemtic Name: 2-(3,5-dimethylphenyl)sulfanyl-2-methyl-propanoate Openeye Name: 2-(3,5-dimethylphenyl)sulfanyl-2-methyl-propanoate CAS Name: 2-[(3,5-dimethylphenyl)thio]-2-methylpropanoate IUPAC Name: 2-(3,5-dimethylphenyl)sulfanyl-2-methylpropanoate Traditional Name: 2-[(3,5-dimethylphenyl)thio]-2-methyl-propionate Formula: C12H15O2S- MolecularWeight: 223.3113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2S/c1-8-5-9(2)7-10(6-8)15-12(3,4)11(13)14/h5-7H,1-4H3,(H,13,14)/p-1