(E)-18-[2-azanylpropyl-[(E)-18-oxidanyl-18-oxidanylidene-octadec-9-enyl]amino]octadec-9-enoic acid

Systemtic Name: (E)-18-[2-azanylpropyl-[(E)-18-oxidanyl-18-oxidanylidene-octadec-9-enyl]amino]octadec-9-enoic acid Openeye Name: (E)-18-[2-aminopropyl-[(E)-18-hydroxy-18-oxo-octadec-9-enyl]amino]octadec-9-enoic acid CAS Name: (E)-18-[2-aminopropyl-[(E)-18-hydroxy-18-oxooctadec-9-enyl]amino]-9-octadecenoic acid IUPAC Name: (E)-18-[2-aminopropyl-[(E)-18-hydroxy-18-oxooctadec-9-enyl]amino]octadec-9-enoic acid Traditional Name: (E)-18-[2-aminopropyl-[(E)-18-hydroxy-18-keto-octadec-9-enyl]amino]octadec-9-enoic acid Formula: C39H74N2O4 MolecularWeight: 635.01586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CCCCCCCCC=CCCCCCCCC(=O)O)CCCCCCCCC=CCCCCCCCC(=O)O)N

Isomeric SMILES

CC(N)CN(CCCCCCCC/C=C/CCCCCCCC(=O)O)CCCCCCCC/C=C/CCCCCCCC(=O)O

InChI

InChI=1S/C39H74N2O4/c1-37(40)36-41(34-30-26-22-18-14-10-6-2-4-8-12-16-20-24-28-32-38(42)43)35-31-27-23-19-15-11-7-3-5-9-13-17-21-25-29-33-39(44)45/h2-5,37H,6-36,40H2,1H3,(H,42,43)(H,44,45)/b4-2+,5-3+