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

Systemtic Name: 2-(methylamino)ethyl [2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-pentyl] hydrogen phosphate Openeye Name: 2-(methylamino)ethyl [2-[(2-octadecoxyphenyl)methyl]-4-oxo-pentyl] hydrogen phosphate CAS Name: 2-(methylamino)ethyl [2-[(2-octadecoxyphenyl)methyl]-4-oxopentyl] hydrogen phosphate IUPAC Name: 2-(methylamino)ethyl [2-[(2-octadecoxyphenyl)methyl]-4-oxopentyl] hydrogen phosphate Traditional Name: [4-keto-2-(2-stearyloxybenzyl)pentyl] 2-(methylamino)ethyl hydrogen phosphate Formula: C33H60NO6P MolecularWeight: 597.806361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H60NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-38-33-23-20-19-22-32(33)28-31(27-30(2)35)29-40-41(36,37)39-26-24-34-3/h19-20,22-23,31,34H,4-18,21,24-29H2,1-3H3,(H,36,37)