(3-hexadecoxy-2-propoxy-propyl) [3-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl] hydrogen phosphate

Systemtic Name: (3-hexadecoxy-2-propoxy-propyl) [3-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxy-2-propoxy-propyl) [3-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl] hydrogen phosphate CAS Name: (3-hexadecoxy-2-propoxypropyl) [3-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxy-2-propoxypropyl) [3-[(3-methyl-2H-imidazol-1-yl)methyl]phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-propoxy-propyl) [3-[(3-methyl-4-imidazolin-1-yl)methyl]phenyl] hydrogen phosphate Formula: C33H59N2O6P MolecularWeight: 610.805121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)CN2CN(C=C2)C)OCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)CN2CN(C=C2)C)OCCC

InChI

InChI=1S/C33H59N2O6P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-25-38-28-33(39-24-5-2)29-40-42(36,37)41-32-21-19-20-31(26-32)27-35-23-22-34(3)30-35/h19-23,26,33H,4-18,24-25,27-30H2,1-3H3,(H,36,37)