2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-3-oxidanyl-octadecanoic acid

Systemtic Name: 2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-3-oxidanyl-octadecanoic acid Openeye Name: 3-hydroxy-2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]octadecanoic acid CAS Name: 3-hydroxy-2-[[(9E,12E)-1-oxooctadeca-9,12-dienyl]amino]octadecanoic acid IUPAC Name: 3-hydroxy-2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]octadecanoic acid Traditional Name: 3-hydroxy-2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]stearic acid Formula: C36H67NO4 MolecularWeight: 577.92148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C(=O)O)NC(=O)CCCCCCCC=CCC=CCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(C(=O)O)NC(=O)CCCCCCC/C=C/C/C=C/CCCCC)O

InChI

InChI=1S/C36H67NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-34(39)37-35(36(40)41)33(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,33,35,38H,3-10,12,14-16,19-32H2,1-2H3,(H,37,39)(H,40,41)/b13-11+,18-17+