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

Systemtic Name: 3-(3-ethoxyphenyl)sulfanyl-2,2-dimethyl-propanoate Openeye Name: 3-(3-ethoxyphenyl)sulfanyl-2,2-dimethyl-propanoate CAS Name: 3-[(3-ethoxyphenyl)thio]-2,2-dimethylpropanoate IUPAC Name: 3-(3-ethoxyphenyl)sulfanyl-2,2-dimethylpropanoate Traditional Name: 2,2-dimethyl-3-(m-phenetylthio)propionate Formula: C13H17O3S- MolecularWeight: 253.33728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C1)SCC(C)(C)C(=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC=C1)SCC(C)(C)C(=O)[O-]

InChI

InChI=1S/C13H18O3S/c1-4-16-10-6-5-7-11(8-10)17-9-13(2,3)12(14)15/h5-8H,4,9H2,1-3H3,(H,14,15)/p-1