dimethyl-[3-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxypropyl]azanium

Systemtic Name: dimethyl-[3-[[2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxypropyl]azanium Openeye Name: 3-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxo-hexoxy]phosphoryl]oxypropyl-dimethyl-ammonium CAS Name: 3-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxohexoxy]phosphoryl]oxypropyl-dimethylammonium IUPAC Name: 3-[hydroxy-[2-[(2-octadecoxyphenyl)methyl]-4-oxohexoxy]phosphoryl]oxypropyl-dimethylazanium Traditional Name: 3-[hydroxy-[4-keto-2-(2-stearyloxybenzyl)hexoxy]phosphoryl]oxypropyl-dimethyl-ammonium Formula: C36H67NO6P+ MolecularWeight: 640.894041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(CC(=O)CC)COP(=O)(O)OCCC[NH+](C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(CC(=O)CC)COP(=O)(O)OCCC[NH+](C)C

InChI

InChI=1S/C36H66NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28-41-36-26-22-21-25-34(36)30-33(31-35(38)6-2)32-43-44(39,40)42-29-24-27-37(3)4/h21-22,25-26,33H,5-20,23-24,27-32H2,1-4H3,(H,39,40)/p+1