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

Systemtic Name: 4-(dimethylamino)butyl [4-oxidanylidene-2-[(3-tridecoxyphenyl)methyl]hexyl] hydrogen phosphate Openeye Name: 4-(dimethylamino)butyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]hexyl] hydrogen phosphate CAS Name: 4-(dimethylamino)butyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]hexyl] hydrogen phosphate IUPAC Name: 4-(dimethylamino)butyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]hexyl] hydrogen phosphate Traditional Name: 4-(dimethylamino)butyl [4-keto-2-(3-tridecoxybenzyl)hexyl] hydrogen phosphate Formula: C32H58NO6P MolecularWeight: 583.779781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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