(E)-3-phenylsulfanyloct-2-enoic acid

Systemtic Name: (E)-3-phenylsulfanyloct-2-enoic acid Openeye Name: (E)-3-phenylsulfanyloct-2-enoic acid CAS Name: (E)-3-(phenylthio)-2-octenoic acid IUPAC Name: (E)-3-phenylsulfanyloct-2-enoic acid Traditional Name: (E)-3-(phenylthio)oct-2-enoic acid Formula: C14H18O2S MolecularWeight: 250.35652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC(=O)O)SC1=CC=CC=C1

Isomeric SMILES

CCCCC/C(=C\C(=O)O)/SC1=CC=CC=C1

InChI

InChI=1S/C14H18O2S/c1-2-3-5-10-13(11-14(15)16)17-12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3,(H,15,16)/b13-11+