2-methyl-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: 2-methyl-3-(phenylmethylsulfanyl)propanoate Openeye Name: 3-benzylsulfanyl-2-methyl-propanoate CAS Name: 2-methyl-3-(phenylmethylthio)propanoate IUPAC Name: 3-benzylsulfanyl-2-methylpropanoate Traditional Name: 3-(benzylthio)-2-methyl-propionate Formula: C11H13O2S- MolecularWeight: 209.28472

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CC(CSCC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C11H14O2S/c1-9(11(12)13)7-14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)/p-1