(E)-2-(phenylmethylsulfanyl)non-3-enoic acid

Systemtic Name: (E)-2-(phenylmethylsulfanyl)non-3-enoic acid Openeye Name: (E)-2-benzylsulfanylnon-3-enoic acid CAS Name: (E)-2-(phenylmethylthio)-3-nonenoic acid IUPAC Name: (E)-2-benzylsulfanylnon-3-enoic acid Traditional Name: (E)-2-(benzylthio)non-3-enoic acid Formula: C16H22O2S MolecularWeight: 278.40968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O2S/c1-2-3-4-5-9-12-15(16(17)18)19-13-14-10-7-6-8-11-14/h6-12,15H,2-5,13H2,1H3,(H,17,18)/b12-9+