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

Systemtic Name: 4-(methylamino)butyl [2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-hexyl] hydrogen phosphate Openeye Name: 4-(methylamino)butyl [2-[(2-octadecoxyphenyl)methyl]-4-oxo-hexyl] hydrogen phosphate CAS Name: 4-(methylamino)butyl [2-[(2-octadecoxyphenyl)methyl]-4-oxohexyl] hydrogen phosphate IUPAC Name: 4-(methylamino)butyl [2-[(2-octadecoxyphenyl)methyl]-4-oxohexyl] hydrogen phosphate Traditional Name: [4-keto-2-(2-stearyloxybenzyl)hexyl] 4-(methylamino)butyl hydrogen phosphate Formula: C36H66NO6P MolecularWeight: 639.886101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H66NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-41-36-26-21-20-25-34(36)30-33(31-35(38)5-2)32-43-44(39,40)42-29-24-22-27-37-3/h20-21,25-26,33,37H,4-19,22-24,27-32H2,1-3H3,(H,39,40)