[(E)-3-oxidanyl-2-[(14-oxidanyl-14-oxidanylidene-tetradecanoyl)amino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(E)-3-oxidanyl-2-[(14-oxidanyl-14-oxidanylidene-tetradecanoyl)amino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(E)-3-hydroxy-2-[(14-hydroxy-14-oxo-tetradecanoyl)amino]octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(E)-3-hydroxy-2-[(14-hydroxy-1,14-dioxotetradecyl)amino]octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(E)-3-hydroxy-2-[(14-hydroxy-14-oxotetradecanoyl)amino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(E)-3-hydroxy-2-[(14-hydroxy-14-keto-tetradecanoyl)amino]octadec-4-enyl] 2-(trimethylammonio)ethyl phosphate Formula: C37H73N2O8P MolecularWeight: 704.957881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC(=O)O)O

InChI

InChI=1S/C37H73N2O8P/c1-5-6-7-8-9-10-11-12-13-16-19-22-25-28-35(40)34(33-47-48(44,45)46-32-31-39(2,3)4)38-36(41)29-26-23-20-17-14-15-18-21-24-27-30-37(42)43/h25,28,34-35,40H,5-24,26-27,29-33H2,1-4H3,(H2-,38,41,42,43,44,45)/b28-25+