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

Systemtic Name: 4-(methylamino)butyl [4-oxidanylidene-2-[(4-tetradecoxyphenyl)methyl]heptyl] hydrogen phosphate Openeye Name: 4-(methylamino)butyl [4-oxo-2-[(4-tetradecoxyphenyl)methyl]heptyl] hydrogen phosphate CAS Name: 4-(methylamino)butyl [4-oxo-2-[(4-tetradecoxyphenyl)methyl]heptyl] hydrogen phosphate IUPAC Name: 4-(methylamino)butyl [4-oxo-2-[(4-tetradecoxyphenyl)methyl]heptyl] hydrogen phosphate Traditional Name: [4-keto-2-(4-myristyloxybenzyl)heptyl] 4-(methylamino)butyl hydrogen phosphate Formula: C33H60NO6P MolecularWeight: 597.806361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H60NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-17-25-38-33-22-20-30(21-23-33)27-31(28-32(35)19-5-2)29-40-41(36,37)39-26-18-16-24-34-3/h20-23,31,34H,4-19,24-29H2,1-3H3,(H,36,37)