[(E)-1-hexadecoxy-2-oxidanyl-4-oxidanylidene-henicos-5-en-3-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(E)-1-hexadecoxy-2-oxidanyl-4-oxidanylidene-henicos-5-en-3-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(E)-1-(2-hexadecoxy-1-hydroxy-ethyl)-2-oxo-nonadec-3-enyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(E)-1-hexadecoxy-2-hydroxy-4-oxoheneicos-5-en-3-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(E)-1-hexadecoxy-2-hydroxy-4-oxohenicos-5-en-3-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(E)-1-(2-cetyloxy-1-hydroxy-ethyl)-2-keto-nonadec-3-enyl] 2-(trimethylammonio)ethyl phosphate Formula: C42H84NO7P MolecularWeight: 746.092621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(C(C(=O)C=CCCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(C(C(=O)/C=C/CCCCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C)O

InChI

InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-40(44)42(50-51(46,47)49-38-36-43(3,4)5)41(45)39-48-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h33,35,41-42,45H,6-32,34,36-39H2,1-5H3/b35-33+