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

Systemtic Name: 4-(methylamino)butyl [4-oxidanylidene-2-[(4-tetradecoxyphenyl)methyl]hexyl] hydrogen phosphate Openeye Name: 4-(methylamino)butyl [4-oxo-2-[(4-tetradecoxyphenyl)methyl]hexyl] hydrogen phosphate CAS Name: 4-(methylamino)butyl [4-oxo-2-[(4-tetradecoxyphenyl)methyl]hexyl] hydrogen phosphate IUPAC Name: 4-(methylamino)butyl [4-oxo-2-[(4-tetradecoxyphenyl)methyl]hexyl] hydrogen phosphate Traditional Name: [4-keto-2-(4-myristyloxybenzyl)hexyl] 4-(methylamino)butyl hydrogen phosphate Formula: C32H58NO6P MolecularWeight: 583.779781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)CC)COP(=O)(O)OCCCCNC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)CC)COP(=O)(O)OCCCCNC

InChI

InChI=1S/C32H58NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-17-24-37-32-21-19-29(20-22-32)26-30(27-31(34)5-2)28-39-40(35,36)38-25-18-16-23-33-3/h19-22,30,33H,4-18,23-28H2,1-3H3,(H,35,36)