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

Systemtic Name: (E)-18-[2-azanylpropyl-[(E)-18-decoxy-18-oxidanylidene-octadec-9-enyl]amino]octadec-9-enoic acid Openeye Name: (E)-18-[2-aminopropyl-[(E)-18-decoxy-18-oxo-octadec-9-enyl]amino]octadec-9-enoic acid CAS Name: (E)-18-[2-aminopropyl-[(E)-18-decoxy-18-oxooctadec-9-enyl]amino]-9-octadecenoic acid IUPAC Name: (E)-18-[2-aminopropyl-[(E)-18-decoxy-18-oxooctadec-9-enyl]amino]octadec-9-enoic acid Traditional Name: (E)-18-[2-aminopropyl-[(E)-18-decoxy-18-keto-octadec-9-enyl]amino]octadec-9-enoic acid Formula: C49H94N2O4 MolecularWeight: 775.28166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCCN(CCCCCCCCC=CCCCCCCCC(=O)O)CC(C)N

Isomeric SMILES

CCCCCCCCCCOC(=O)CCCCCCC/C=C/CCCCCCCCN(CCCCCCCC/C=C/CCCCCCCC(=O)O)CC(C)N

InChI

InChI=1S/C49H94N2O4/c1-3-4-5-6-7-30-35-40-45-55-49(54)42-37-32-27-23-19-15-11-9-13-17-21-25-29-34-39-44-51(46-47(2)50)43-38-33-28-24-20-16-12-8-10-14-18-22-26-31-36-41-48(52)53/h8-11,47H,3-7,12-46,50H2,1-2H3,(H,52,53)/b10-8+,11-9+