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

Systemtic Name: 3-(3,5-dimethylphenyl)sulfanyl-2,2-dimethyl-propanoate Openeye Name: 3-(3,5-dimethylphenyl)sulfanyl-2,2-dimethyl-propanoate CAS Name: 3-[(3,5-dimethylphenyl)thio]-2,2-dimethylpropanoate IUPAC Name: 3-(3,5-dimethylphenyl)sulfanyl-2,2-dimethylpropanoate Traditional Name: 3-[(3,5-dimethylphenyl)thio]-2,2-dimethyl-propionate Formula: C13H17O2S- MolecularWeight: 237.33788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2S/c1-9-5-10(2)7-11(6-9)16-8-13(3,4)12(14)15/h5-7H,8H2,1-4H3,(H,14,15)/p-1