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

Systemtic Name: 2-dimethylaminoethyl [2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-heptyl] hydrogen phosphate Openeye Name: 2-dimethylaminoethyl [2-[(2-octadecoxyphenyl)methyl]-4-oxo-heptyl] hydrogen phosphate CAS Name: 2-dimethylaminoethyl [2-[(2-octadecoxyphenyl)methyl]-4-oxoheptyl] hydrogen phosphate IUPAC Name: 2-dimethylaminoethyl [2-[(2-octadecoxyphenyl)methyl]-4-oxoheptyl] hydrogen phosphate Traditional Name: 2-dimethylaminoethyl [4-keto-2-(2-stearyloxybenzyl)heptyl] hydrogen phosphate Formula: C36H66NO6P MolecularWeight: 639.886101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H66NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28-41-36-26-22-21-25-34(36)30-33(31-35(38)24-6-2)32-43-44(39,40)42-29-27-37(3)4/h21-22,25-26,33H,5-20,23-24,27-32H2,1-4H3,(H,39,40)