4-[(9E,12E)-octadeca-9,12-dienyl]sulfanylbenzoic acid

Systemtic Name: 4-[(9E,12E)-octadeca-9,12-dienyl]sulfanylbenzoic acid Openeye Name: 4-[(9E,12E)-octadeca-9,12-dienyl]sulfanylbenzoic acid CAS Name: 4-[[(9E,12E)-octadeca-9,12-dienyl]thio]benzoic acid IUPAC Name: 4-[(9E,12E)-octadeca-9,12-dienyl]sulfanylbenzoic acid Traditional Name: 4-[[(9E,12E)-octadeca-9,12-dienyl]thio]benzoic acid Formula: C25H38O2S MolecularWeight: 402.63302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C25H38O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28-24-20-18-23(19-21-24)25(26)27/h6-7,9-10,18-21H,2-5,8,11-17,22H2,1H3,(H,26,27)/b7-6+,10-9+