4-(dimethylamino)butyl [4-oxidanylidene-2-[(3-tridecoxyphenyl)methyl]heptyl] hydrogen phosphate

Systemtic Name: 4-(dimethylamino)butyl [4-oxidanylidene-2-[(3-tridecoxyphenyl)methyl]heptyl] hydrogen phosphate Openeye Name: 4-(dimethylamino)butyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]heptyl] hydrogen phosphate CAS Name: 4-(dimethylamino)butyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]heptyl] hydrogen phosphate IUPAC Name: 4-(dimethylamino)butyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]heptyl] hydrogen phosphate Traditional Name: 4-(dimethylamino)butyl [4-keto-2-(3-tridecoxybenzyl)heptyl] hydrogen phosphate Formula: C33H60NO6P MolecularWeight: 597.806361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(CC(=O)CCC)COP(=O)(O)OCCCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(CC(=O)CCC)COP(=O)(O)OCCCCN(C)C

InChI

InChI=1S/C33H60NO6P/c1-5-7-8-9-10-11-12-13-14-15-17-24-38-33-22-19-21-30(28-33)26-31(27-32(35)20-6-2)29-40-41(36,37)39-25-18-16-23-34(3)4/h19,21-22,28,31H,5-18,20,23-27,29H2,1-4H3,(H,36,37)