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

Systemtic Name: 4-(methylamino)butyl [2-[(2-octadecoxyphenyl)methyl]-4-oxidanylidene-heptyl] hydrogen phosphate Openeye Name: 4-(methylamino)butyl [2-[(2-octadecoxyphenyl)methyl]-4-oxo-heptyl] hydrogen phosphate CAS Name: 4-(methylamino)butyl [2-[(2-octadecoxyphenyl)methyl]-4-oxoheptyl] hydrogen phosphate IUPAC Name: 4-(methylamino)butyl [2-[(2-octadecoxyphenyl)methyl]-4-oxoheptyl] hydrogen phosphate Traditional Name: [4-keto-2-(2-stearyloxybenzyl)heptyl] 4-(methylamino)butyl hydrogen phosphate Formula: C37H68NO6P MolecularWeight: 653.912681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H68NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29-42-37-27-21-20-26-35(37)31-34(32-36(39)25-5-2)33-44-45(40,41)43-30-24-22-28-38-3/h20-21,26-27,34,38H,4-19,22-25,28-33H2,1-3H3,(H,40,41)