(E)-2-(phenylmethylsulfanyl)pent-2-enoate

Systemtic Name: (E)-2-(phenylmethylsulfanyl)pent-2-enoate Openeye Name: (E)-2-benzylsulfanylpent-2-enoate CAS Name: (E)-2-(phenylmethylthio)-2-pentenoate IUPAC Name: (E)-2-benzylsulfanylpent-2-enoate Traditional Name: (E)-2-(benzylthio)pent-2-enoate Formula: C12H13O2S- MolecularWeight: 221.29542

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C(=O)[O-])SCC1=CC=CC=C1

Isomeric SMILES

CC/C=C(\C(=O)[O-])/SCC1=CC=CC=C1

InChI

InChI=1S/C12H14O2S/c1-2-6-11(12(13)14)15-9-10-7-4-3-5-8-10/h3-8H,2,9H2,1H3,(H,13,14)/p-1/b11-6+