4-(methylamino)butyl [2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-pentyl] hydrogen phosphate

Systemtic Name: 4-(methylamino)butyl [2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-pentyl] hydrogen phosphate Openeye Name: 4-(methylamino)butyl [2-[(2-octadecoxyphenyl)methyl]-4-oxo-pentyl] hydrogen phosphate CAS Name: 4-(methylamino)butyl [2-[(2-octadecoxyphenyl)methyl]-4-oxopentyl] hydrogen phosphate IUPAC Name: 4-(methylamino)butyl [2-[(2-octadecoxyphenyl)methyl]-4-oxopentyl] hydrogen phosphate Traditional Name: [4-keto-2-(2-stearyloxybenzyl)pentyl] 4-(methylamino)butyl hydrogen phosphate Formula: C35H64NO6P MolecularWeight: 625.859521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(CC(=O)C)COP(=O)(O)OCCCCNC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(CC(=O)C)COP(=O)(O)OCCCCNC

InChI

InChI=1S/C35H64NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-40-35-25-20-19-24-34(35)30-33(29-32(2)37)31-42-43(38,39)41-28-23-21-26-36-3/h19-20,24-25,33,36H,4-18,21-23,26-31H2,1-3H3,(H,38,39)