3-(4-methoxyphenyl)carbonylsulfanyl-2-methyl-propanoic acid

Systemtic Name: 3-(4-methoxyphenyl)carbonylsulfanyl-2-methyl-propanoic acid Openeye Name: 3-(4-methoxybenzoyl)sulfanyl-2-methyl-propanoic acid CAS Name: 3-[[(4-methoxyphenyl)-oxomethyl]thio]-2-methylpropanoic acid IUPAC Name: 3-(4-methoxybenzoyl)sulfanyl-2-methylpropanoic acid Traditional Name: 2-methyl-3-(p-anisoylthio)propionic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=C(C=C1)OC)C(=O)O

Isomeric SMILES

CC(CSC(=O)C1=CC=C(C=C1)OC)C(=O)O

InChI

InChI=1S/C12H14O4S/c1-8(11(13)14)7-17-12(15)9-3-5-10(16-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)