dimethyl-[2-[[2-(octadecoxymethyl)-4-oxidanylidene-hexoxy]-oxidanyl-phosphanyl]oxyethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CC(=O)CC)COP(O)OCC[NH+](C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CC(=O)CC)COP(O)OCC[NH+](C)C

InChI

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