3-(3-ethoxyphenyl)sulfanyl-2,2-dimethyl-propanoic acid

Systemtic Name: 3-(3-ethoxyphenyl)sulfanyl-2,2-dimethyl-propanoic acid Openeye Name: 3-(3-ethoxyphenyl)sulfanyl-2,2-dimethyl-propanoic acid CAS Name: 3-[(3-ethoxyphenyl)thio]-2,2-dimethylpropanoic acid IUPAC Name: 3-(3-ethoxyphenyl)sulfanyl-2,2-dimethylpropanoic acid Traditional Name: 2,2-dimethyl-3-(m-phenetylthio)propionic acid Formula: C13H18O3S MolecularWeight: 254.34522

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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)