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

Systemtic Name: 4-[[2-(hexadecoxymethyl)-4-oxidanylidene-hexoxy]-oxidanyl-phosphanyl]oxybutyl-trimethyl-azanium Openeye Name: 4-[[2-(hexadecoxymethyl)-4-oxo-hexoxy]-hydroxy-phosphanyl]oxybutyl-trimethyl-ammonium CAS Name: 4-[[2-(hexadecoxymethyl)-4-oxohexoxy]-hydroxyphosphino]oxybutyl-trimethylammonium IUPAC Name: 4-[[2-(hexadecoxymethyl)-4-oxohexoxy]-hydroxyphosphanyl]oxybutyl-trimethylazanium Traditional Name: 4-[[2-(cetyloxymethyl)-4-keto-hexoxy]-hydroxy-phosphino]oxybutyl-trimethyl-ammonium Formula: C30H63NO5P+ MolecularWeight: 548.798681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H63NO5P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-24-34-27-29(26-30(32)7-2)28-36-37(33)35-25-22-20-23-31(3,4)5/h29,33H,6-28H2,1-5H3/q+1