2-methyl-2-(phenylmethylsulfanyl)butanedioic acid

Systemtic Name: 2-methyl-2-(phenylmethylsulfanyl)butanedioic acid Openeye Name: 2-benzylsulfanyl-2-methyl-butanedioic acid CAS Name: 2-methyl-2-(phenylmethylthio)butanedioic acid IUPAC Name: 2-benzylsulfanyl-2-methylbutanedioic acid Traditional Name: 2-(benzylthio)-2-methyl-succinic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)(C(=O)O)SCC1=CC=CC=C1

Isomeric SMILES

CC(CC(=O)O)(C(=O)O)SCC1=CC=CC=C1

InChI

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