[(E)-2-(23-heptadecoxytricosanoylamino)-3-oxidanyl-heptadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(E)-2-(23-heptadecoxytricosanoylamino)-3-oxidanyl-heptadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(E)-2-(23-heptadecoxytricosanoylamino)-3-hydroxy-heptadec-4-enyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(E)-2-[(23-heptadecoxy-1-oxotricosyl)amino]-3-hydroxyheptadec-4-enyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(E)-2-(23-heptadecoxytricosanoylamino)-3-hydroxyheptadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(E)-2-(23-heptadecoxytricosanoylamino)-3-hydroxy-heptadec-4-enyl] 2-(trimethylammonio)ethyl phosphate Formula: C62H125N2O7P MolecularWeight: 1041.638861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C62H125N2O7P/c1-6-8-10-12-14-16-18-20-28-31-35-39-43-47-51-56-69-57-52-48-44-40-36-32-29-26-24-22-21-23-25-27-30-34-38-42-46-50-54-62(66)63-60(59-71-72(67,68)70-58-55-64(3,4)5)61(65)53-49-45-41-37-33-19-17-15-13-11-9-7-2/h49,53,60-61,65H,6-48,50-52,54-59H2,1-5H3,(H-,63,66,67,68)/b53-49+