2-methyl-2-[(phenylmethylsulfanyl)methyl]propanedioic acid

Systemtic Name: 2-methyl-2-[(phenylmethylsulfanyl)methyl]propanedioic acid Openeye Name: 2-(benzylsulfanylmethyl)-2-methyl-propanedioic acid CAS Name: 2-methyl-2-[(phenylmethylthio)methyl]propanedioic acid IUPAC Name: 2-(benzylsulfanylmethyl)-2-methylpropanedioic acid Traditional Name: 2-[(benzylthio)methyl]-2-methyl-malonic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=CC=CC=C1)(C(=O)O)C(=O)O

Isomeric SMILES

CC(CSCC1=CC=CC=C1)(C(=O)O)C(=O)O

InChI

InChI=1S/C12H14O4S/c1-12(10(13)14,11(15)16)8-17-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14)(H,15,16)