2,2-dimethyl-3-(4-sulfanylphenyl)propanoate

Systemtic Name: 2,2-dimethyl-3-(4-sulfanylphenyl)propanoate Openeye Name: 2,2-dimethyl-3-(4-sulfanylphenyl)propanoate CAS Name: 3-(4-mercaptophenyl)-2,2-dimethylpropanoate IUPAC Name: 2,2-dimethyl-3-(4-sulfanylphenyl)propanoate Traditional Name: 3-(4-mercaptophenyl)-2,2-dimethyl-propionate Formula: C11H13O2S- MolecularWeight: 209.28472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O2S/c1-11(2,10(12)13)7-8-3-5-9(14)6-4-8/h3-6,14H,7H2,1-2H3,(H,12,13)/p-1