2-[(E)-octadec-9-enoyl]oxy-4-oxidanylidene-1-[(E)-2-oxidanylideneoctadec-10-enoxy]-7-(trimethylazaniumyl)heptan-3-olate

Systemtic Name: 2-[(E)-octadec-9-enoyl]oxy-4-oxidanylidene-1-[(E)-2-oxidanylideneoctadec-10-enoxy]-7-(trimethylazaniumyl)heptan-3-olate Openeye Name: 2-[(E)-octadec-9-enoyl]oxy-4-oxo-1-[(E)-2-oxooctadec-10-enoxy]-7-(trimethylammonio)heptan-3-olate CAS Name: 4-oxo-2-[(E)-1-oxooctadec-9-enoxy]-1-[(E)-2-oxooctadec-10-enoxy]-7-(trimethylammonio)-3-heptanolate IUPAC Name: 2-[(E)-octadec-9-enoyl]oxy-4-oxo-1-[(E)-2-oxooctadec-10-enoxy]-7-(trimethylazaniumyl)heptan-3-olate Traditional Name: 4-keto-1-[(E)-2-ketooctadec-10-enoxy]-2-[(E)-octadec-9-enoyl]oxy-7-(trimethylammonio)heptan-3-olate Formula: C46H85NO6 MolecularWeight: 748.1702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(COCC(=O)CCCCCCCC=CCCCCCCC)C(C(=O)CCC[N+](C)(C)C)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(COCC(=O)CCCCCCC/C=C/CCCCCCC)C(C(=O)CCC[N+](C)(C)C)[O-]

InChI

InChI=1S/C46H85NO6/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-45(50)53-44(46(51)43(49)37-35-39-47(3,4)5)41-52-40-42(48)36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h19-22,44,46H,6-18,23-41H2,1-5H3/b21-19+,22-20+