3-(3-methoxyphenyl)sulfanyl-2,2-dimethyl-propanoate

Systemtic Name: 3-(3-methoxyphenyl)sulfanyl-2,2-dimethyl-propanoate Openeye Name: 3-(3-methoxyphenyl)sulfanyl-2,2-dimethyl-propanoate CAS Name: 3-[(3-methoxyphenyl)thio]-2,2-dimethylpropanoate IUPAC Name: 3-(3-methoxyphenyl)sulfanyl-2,2-dimethylpropanoate Traditional Name: 3-[(3-methoxyphenyl)thio]-2,2-dimethyl-propionate Formula: C12H15O3S- MolecularWeight: 239.3107

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSC1=CC=CC(=C1)OC)C(=O)[O-]

Isomeric SMILES

CC(C)(CSC1=CC=CC(=C1)OC)C(=O)[O-]

InChI

InChI=1S/C12H16O3S/c1-12(2,11(13)14)8-16-10-6-4-5-9(7-10)15-3/h4-7H,8H2,1-3H3,(H,13,14)/p-1