(3-hexadecoxy-2-methoxy-propyl) [3-(pyridazin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl) [3-(pyridazin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxy-2-methoxy-propyl) [3-(pyridazin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-hexadecoxy-2-methoxypropyl) [3-(1-pyridazin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxy-2-methoxypropyl) [3-(pyridazin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-methoxy-propyl) [3-(pyridazin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C31H52N2O6P+ MolecularWeight: 579.728141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)C[N+]2=CC=CC=N2)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)C[N+]2=CC=CC=N2)OC

InChI

InChI=1S/C31H51N2O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-37-27-31(36-2)28-38-40(34,35)39-30-21-19-20-29(25-30)26-33-23-17-16-22-32-33/h16-17,19-23,25,31H,3-15,18,24,26-28H2,1-2H3/p+1