2-dimethylaminoethyl [2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-hexyl] hydrogen phosphate

Systemtic Name: 2-dimethylaminoethyl [2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-hexyl] hydrogen phosphate Openeye Name: 2-dimethylaminoethyl [2-[(2-octadecoxyphenyl)methyl]-4-oxo-hexyl] hydrogen phosphate CAS Name: 2-dimethylaminoethyl [2-[(2-octadecoxyphenyl)methyl]-4-oxohexyl] hydrogen phosphate IUPAC Name: 2-dimethylaminoethyl [2-[(2-octadecoxyphenyl)methyl]-4-oxohexyl] hydrogen phosphate Traditional Name: 2-dimethylaminoethyl [4-keto-2-(2-stearyloxybenzyl)hexyl] hydrogen phosphate Formula: C35H64NO6P MolecularWeight: 625.859521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H64NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-40-35-25-22-21-24-33(35)29-32(30-34(37)6-2)31-42-43(38,39)41-28-26-36(3)4/h21-22,24-25,32H,5-20,23,26-31H2,1-4H3,(H,38,39)