(Z)-2-methyl-3-(phenylmethylsulfanyl)pent-2-enoic acid

Systemtic Name: (Z)-2-methyl-3-(phenylmethylsulfanyl)pent-2-enoic acid Openeye Name: (Z)-3-benzylsulfanyl-2-methyl-pent-2-enoic acid CAS Name: (Z)-2-methyl-3-(phenylmethylthio)-2-pentenoic acid IUPAC Name: (Z)-3-benzylsulfanyl-2-methylpent-2-enoic acid Traditional Name: (Z)-3-(benzylthio)-2-methyl-pent-2-enoic acid Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O2S/c1-3-12(10(2)13(14)15)16-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,14,15)/b12-10-