4-(dimethylamino)butyl [2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-hexyl] hydrogen phosphate

Systemtic Name: 4-(dimethylamino)butyl [2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-hexyl] hydrogen phosphate Openeye Name: 4-(dimethylamino)butyl [2-[(4-dodecoxyphenyl)methyl]-4-oxo-hexyl] hydrogen phosphate CAS Name: 4-(dimethylamino)butyl [2-[(4-dodecoxyphenyl)methyl]-4-oxohexyl] hydrogen phosphate IUPAC Name: 4-(dimethylamino)butyl [2-[(4-dodecoxyphenyl)methyl]-4-oxohexyl] hydrogen phosphate Traditional Name: 4-(dimethylamino)butyl [4-keto-2-(4-lauryloxybenzyl)hexyl] hydrogen phosphate Formula: C31H56NO6P MolecularWeight: 569.753201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)CC)COP(=O)(O)OCCCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)CC)COP(=O)(O)OCCCCN(C)C

InChI

InChI=1S/C31H56NO6P/c1-5-7-8-9-10-11-12-13-14-16-23-36-31-20-18-28(19-21-31)25-29(26-30(33)6-2)27-38-39(34,35)37-24-17-15-22-32(3)4/h18-21,29H,5-17,22-27H2,1-4H3,(H,34,35)