4-[[2-(hexadecoxymethyl)-4-oxidanylidene-hexoxy]-oxidanyl-phosphanyl]oxybutyl-dimethyl-azanium

Systemtic Name: 4-[[2-(hexadecoxymethyl)-4-oxidanylidene-hexoxy]-oxidanyl-phosphanyl]oxybutyl-dimethyl-azanium Openeye Name: 4-[[2-(hexadecoxymethyl)-4-oxo-hexoxy]-hydroxy-phosphanyl]oxybutyl-dimethyl-ammonium CAS Name: 4-[[2-(hexadecoxymethyl)-4-oxohexoxy]-hydroxyphosphino]oxybutyl-dimethylammonium IUPAC Name: 4-[[2-(hexadecoxymethyl)-4-oxohexoxy]-hydroxyphosphanyl]oxybutyl-dimethylazanium Traditional Name: 4-[[2-(cetyloxymethyl)-4-keto-hexoxy]-hydroxy-phosphino]oxybutyl-dimethyl-ammonium Formula: C29H61NO5P+ MolecularWeight: 534.772101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CC(=O)CC)COP(O)OCCCC[NH+](C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CC(=O)CC)COP(O)OCCCC[NH+](C)C

InChI

InChI=1S/C29H60NO5P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-23-33-26-28(25-29(31)6-2)27-35-36(32)34-24-21-19-22-30(3)4/h28,32H,5-27H2,1-4H3/p+1