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

Systemtic Name: 4-(dimethylamino)butyl [4-oxidanylidene-2-[(4-tetradecoxyphenyl)methyl]heptyl] hydrogen phosphate Openeye Name: 4-(dimethylamino)butyl [4-oxo-2-[(4-tetradecoxyphenyl)methyl]heptyl] hydrogen phosphate CAS Name: 4-(dimethylamino)butyl [4-oxo-2-[(4-tetradecoxyphenyl)methyl]heptyl] hydrogen phosphate IUPAC Name: 4-(dimethylamino)butyl [4-oxo-2-[(4-tetradecoxyphenyl)methyl]heptyl] hydrogen phosphate Traditional Name: 4-(dimethylamino)butyl [4-keto-2-(4-myristyloxybenzyl)heptyl] hydrogen phosphate Formula: C34H62NO6P MolecularWeight: 611.832941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)CCC)COP(=O)(O)OCCCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)CCC)COP(=O)(O)OCCCCN(C)C

InChI

InChI=1S/C34H62NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-18-26-39-34-23-21-31(22-24-34)28-32(29-33(36)20-6-2)30-41-42(37,38)40-27-19-17-25-35(3)4/h21-24,32H,5-20,25-30H2,1-4H3,(H,37,38)