2-(2-propan-2-ylphenyl)sulfanylpropanedioic acid

Systemtic Name: 2-(2-propan-2-ylphenyl)sulfanylpropanedioic acid Openeye Name: 2-(2-isopropylphenyl)sulfanylpropanedioic acid CAS Name: 2-[(2-propan-2-ylphenyl)thio]propanedioic acid IUPAC Name: 2-(2-propan-2-ylphenyl)sulfanylpropanedioic acid Traditional Name: 2-(o-cumenylthio)malonic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1SC(C(=O)O)C(=O)O

InChI

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