2-[[3-(2,4-dimethylhexadecoxy)-2-propanoyloxy-propoxy]-oxidanyl-phosphoryl]ethyl-methyl-azanium

Systemtic Name: 2-[[3-(2,4-dimethylhexadecoxy)-2-propanoyloxy-propoxy]-oxidanyl-phosphoryl]ethyl-methyl-azanium Openeye Name: 2-[[3-(2,4-dimethylhexadecoxy)-2-propanoyloxy-propoxy]-hydroxy-phosphoryl]ethyl-methyl-ammonium CAS Name: 2-[[3-(2,4-dimethylhexadecoxy)-2-(1-oxopropoxy)propoxy]-hydroxyphosphoryl]ethyl-methylammonium IUPAC Name: 2-[[3-(2,4-dimethylhexadecoxy)-2-propanoyloxypropoxy]-hydroxyphosphoryl]ethyl-methylazanium Traditional Name: 2-[[3-(2,4-dimethylhexadecoxy)-2-propionyloxy-propoxy]-hydroxy-phosphoryl]ethyl-methyl-ammonium Formula: C27H57NO6P+ MolecularWeight: 522.718341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)CC(C)COCC(COP(=O)(CC[NH2+]C)O)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCC(C)CC(C)COCC(COP(=O)(CC[NH2+]C)O)OC(=O)CC

InChI

InChI=1S/C27H56NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-24(3)20-25(4)21-32-22-26(34-27(29)7-2)23-33-35(30,31)19-18-28-5/h24-26,28H,6-23H2,1-5H3,(H,30,31)/p+1