3-(methylamino)propyl [2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-hexyl] hydrogen phosphate

Systemtic Name: 3-(methylamino)propyl [2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-hexyl] hydrogen phosphate Openeye Name: 3-(methylamino)propyl [2-[(2-octadecoxyphenyl)methyl]-4-oxo-hexyl] hydrogen phosphate CAS Name: 3-(methylamino)propyl [2-[(2-octadecoxyphenyl)methyl]-4-oxohexyl] hydrogen phosphate IUPAC Name: 3-(methylamino)propyl [2-[(2-octadecoxyphenyl)methyl]-4-oxohexyl] hydrogen phosphate Traditional Name: [4-keto-2-(2-stearyloxybenzyl)hexyl] 3-(methylamino)propyl hydrogen phosphate Formula: C35H64NO6P MolecularWeight: 625.859521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(CC(=O)CC)COP(=O)(O)OCCCNC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(CC(=O)CC)COP(=O)(O)OCCCNC

InChI

InChI=1S/C35H64NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27-40-35-25-21-20-24-33(35)29-32(30-34(37)5-2)31-42-43(38,39)41-28-23-26-36-3/h20-21,24-25,32,36H,4-19,22-23,26-31H2,1-3H3,(H,38,39)