(E)-2-(phenylmethylsulfanyl)pent-2-enoic acid

Systemtic Name: (E)-2-(phenylmethylsulfanyl)pent-2-enoic acid Openeye Name: (E)-2-benzylsulfanylpent-2-enoic acid CAS Name: (E)-2-(phenylmethylthio)-2-pentenoic acid IUPAC Name: (E)-2-benzylsulfanylpent-2-enoic acid Traditional Name: (E)-2-(benzylthio)pent-2-enoic acid Formula: C12H14O2S MolecularWeight: 222.30336

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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)/b11-6+