3-(2,6-dimethylphenyl)carbonylsulfanylpropanoic acid

Systemtic Name: 3-(2,6-dimethylphenyl)carbonylsulfanylpropanoic acid Openeye Name: 3-(2,6-dimethylbenzoyl)sulfanylpropanoic acid CAS Name: 3-[[(2,6-dimethylphenyl)-oxomethyl]thio]propanoic acid IUPAC Name: 3-(2,6-dimethylbenzoyl)sulfanylpropanoic acid Traditional Name: 3-[(2,6-dimethylbenzoyl)thio]propionic acid Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(=O)SCCC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(=O)SCCC(=O)O

InChI

InChI=1S/C12H14O3S/c1-8-4-3-5-9(2)11(8)12(15)16-7-6-10(13)14/h3-5H,6-7H2,1-2H3,(H,13,14)