(E)-18-[2-azanylethyl-[(E)-18-hexadecoxy-18-oxidanylidene-octadec-9-enyl]amino]octadec-9-enoic acid

Systemtic Name: (E)-18-[2-azanylethyl-[(E)-18-hexadecoxy-18-oxidanylidene-octadec-9-enyl]amino]octadec-9-enoic acid Openeye Name: (E)-18-[2-aminoethyl-[(E)-18-hexadecoxy-18-oxo-octadec-9-enyl]amino]octadec-9-enoic acid CAS Name: (E)-18-[2-aminoethyl-[(E)-18-hexadecoxy-18-oxooctadec-9-enyl]amino]-9-octadecenoic acid IUPAC Name: (E)-18-[2-aminoethyl-[(E)-18-hexadecoxy-18-oxooctadec-9-enyl]amino]octadec-9-enoic acid Traditional Name: (E)-18-[2-aminoethyl-[(E)-18-cetyloxy-18-keto-octadec-9-enyl]amino]octadec-9-enoic acid Formula: C54H104N2O4 MolecularWeight: 845.41456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCCN(CCCCCCCCC=CCCCCCCCC(=O)O)CCN

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C/CCCCCCCCN(CCCCCCCC/C=C/CCCCCCCC(=O)O)CCN

InChI

InChI=1S/C54H104N2O4/c1-2-3-4-5-6-7-8-9-20-25-30-35-40-45-52-60-54(59)47-42-37-32-27-22-17-13-11-15-19-24-29-34-39-44-50-56(51-48-55)49-43-38-33-28-23-18-14-10-12-16-21-26-31-36-41-46-53(57)58/h10-13H,2-9,14-52,55H2,1H3,(H,57,58)/b12-10+,13-11+