[4-octan-2-yl-3-oxidanyl-2-(5-oxidanyl-5-oxidanylidene-pentoxy)pentadecyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [4-octan-2-yl-3-oxidanyl-2-(5-oxidanyl-5-oxidanylidene-pentoxy)pentadecyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [3-hydroxy-2-(5-hydroxy-5-oxo-pentoxy)-4-(1-methylheptyl)pentadecyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [3-hydroxy-2-(5-hydroxy-5-oxopentoxy)-4-octan-2-ylpentadecyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [3-hydroxy-2-(5-hydroxy-5-oxopentoxy)-4-octan-2-ylpentadecyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [3-hydroxy-2-(5-hydroxy-5-keto-pentoxy)-4-(1-methylheptyl)pentadecyl] 2-(trimethylammonio)ethyl phosphate Formula: C33H68NO8P MolecularWeight: 637.868681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(C)CCCCCC)C(C(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCC(C(C)CCCCCC)C(C(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCC(=O)O)O

InChI

InChI=1S/C33H68NO8P/c1-7-9-11-13-14-15-16-17-19-23-30(29(3)22-18-12-10-8-2)33(37)31(40-26-21-20-24-32(35)36)28-42-43(38,39)41-27-25-34(4,5)6/h29-31,33,37H,7-28H2,1-6H3,(H-,35,36,38,39)