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

Systemtic Name: (E)-18-[2-azanylethyl-[(E)-18-decoxy-18-oxidanylidene-octadec-9-enyl]amino]octadec-9-enoic acid Openeye Name: (E)-18-[2-aminoethyl-[(E)-18-decoxy-18-oxo-octadec-9-enyl]amino]octadec-9-enoic acid CAS Name: (E)-18-[2-aminoethyl-[(E)-18-decoxy-18-oxooctadec-9-enyl]amino]-9-octadecenoic acid IUPAC Name: (E)-18-[2-aminoethyl-[(E)-18-decoxy-18-oxooctadec-9-enyl]amino]octadec-9-enoic acid Traditional Name: (E)-18-[2-aminoethyl-[(E)-18-decoxy-18-keto-octadec-9-enyl]amino]octadec-9-enoic acid Formula: C48H92N2O4 MolecularWeight: 761.25508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H92N2O4/c1-2-3-4-5-6-29-34-39-46-54-48(53)41-36-31-26-22-18-14-10-8-12-16-20-24-28-33-38-44-50(45-42-49)43-37-32-27-23-19-15-11-7-9-13-17-21-25-30-35-40-47(51)52/h7-10H,2-6,11-46,49H2,1H3,(H,51,52)/b9-7+,10-8+