3-(dimethylamino)propyl [2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-heptyl] hydrogen phosphate

Systemtic Name: 3-(dimethylamino)propyl [2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-heptyl] hydrogen phosphate Openeye Name: 3-(dimethylamino)propyl [2-[(2-octadecoxyphenyl)methyl]-4-oxo-heptyl] hydrogen phosphate CAS Name: 3-(dimethylamino)propyl [2-[(2-octadecoxyphenyl)methyl]-4-oxoheptyl] hydrogen phosphate IUPAC Name: 3-(dimethylamino)propyl [2-[(2-octadecoxyphenyl)methyl]-4-oxoheptyl] hydrogen phosphate Traditional Name: 3-(dimethylamino)propyl [4-keto-2-(2-stearyloxybenzyl)heptyl] hydrogen phosphate Formula: C37H68NO6P MolecularWeight: 653.912681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(CC(=O)CCC)COP(=O)(O)OCCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(CC(=O)CCC)COP(=O)(O)OCCCN(C)C

InChI

InChI=1S/C37H68NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-29-42-37-27-22-21-26-35(37)31-34(32-36(39)25-6-2)33-44-45(40,41)43-30-24-28-38(3)4/h21-22,26-27,34H,5-20,23-25,28-33H2,1-4H3,(H,40,41)