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

Systemtic Name: 4-(dimethylamino)butyl [2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-heptyl] hydrogen phosphate Openeye Name: 4-(dimethylamino)butyl [2-[(2-octadecoxyphenyl)methyl]-4-oxo-heptyl] hydrogen phosphate CAS Name: 4-(dimethylamino)butyl [2-[(2-octadecoxyphenyl)methyl]-4-oxoheptyl] hydrogen phosphate IUPAC Name: 4-(dimethylamino)butyl [2-[(2-octadecoxyphenyl)methyl]-4-oxoheptyl] hydrogen phosphate Traditional Name: 4-(dimethylamino)butyl [4-keto-2-(2-stearyloxybenzyl)heptyl] hydrogen phosphate Formula: C38H70NO6P MolecularWeight: 667.939261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H70NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-30-43-38-28-22-21-27-36(38)32-35(33-37(40)26-6-2)34-45-46(41,42)44-31-25-23-29-39(3)4/h21-22,27-28,35H,5-20,23-26,29-34H2,1-4H3,(H,41,42)