2-methyl-3-(phenylmethylsulfanyl)butanedioic acid

Systemtic Name: 2-methyl-3-(phenylmethylsulfanyl)butanedioic acid Openeye Name: 2-benzylsulfanyl-3-methyl-butanedioic acid CAS Name: 2-methyl-3-(phenylmethylthio)butanedioic acid IUPAC Name: 2-benzylsulfanyl-3-methylbutanedioic acid Traditional Name: 2-(benzylthio)-3-methyl-succinic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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