2-[(2-butanoyloxy-3-nonadecoxy-propoxy)-oxidanyl-phosphoryl]ethyl-methyl-azanium

Systemtic Name: 2-[(2-butanoyloxy-3-nonadecoxy-propoxy)-oxidanyl-phosphoryl]ethyl-methyl-azanium Openeye Name: 2-[(2-butanoyloxy-3-nonadecoxy-propoxy)-hydroxy-phosphoryl]ethyl-methyl-ammonium CAS Name: 2-[hydroxy-[3-nonadecoxy-2-(1-oxobutoxy)propoxy]phosphoryl]ethyl-methylammonium IUPAC Name: 2-[(2-butanoyloxy-3-nonadecoxypropoxy)-hydroxyphosphoryl]ethyl-methylazanium Traditional Name: 2-[(2-butyryloxy-3-nonadecoxy-propoxy)-hydroxy-phosphoryl]ethyl-methyl-ammonium Formula: C29H61NO6P+ MolecularWeight: 550.771501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCOCC(COP(=O)(CC[NH2+]C)O)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCOCC(COP(=O)(CC[NH2+]C)O)OC(=O)CCC

InChI

InChI=1S/C29H60NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-34-26-28(36-29(31)22-5-2)27-35-37(32,33)25-23-30-3/h28,30H,4-27H2,1-3H3,(H,32,33)/p+1