2-methoxypropyl 2-hexadecoxy-6-(1-methylpyridazin-1-ium-3-yl)benzoate

Systemtic Name: 2-methoxypropyl 2-hexadecoxy-6-(1-methylpyridazin-1-ium-3-yl)benzoate Openeye Name: 2-methoxypropyl 2-hexadecoxy-6-(1-methylpyridazin-1-ium-3-yl)benzoate CAS Name: 2-hexadecoxy-6-(1-methyl-3-pyridazin-1-iumyl)benzoic acid 2-methoxypropyl ester IUPAC Name: 2-methoxypropyl 2-hexadecoxy-6-(1-methylpyridazin-1-ium-3-yl)benzoate Traditional Name: 2-cetyloxy-6-(1-methylpyridazin-1-ium-3-yl)benzoic acid 2-methoxypropyl ester Formula: C32H51N2O4+ MolecularWeight: 527.75834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1C(=O)OCC(C)OC)C2=N[N+](=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC(=C1C(=O)OCC(C)OC)C2=N[N+](=CC=C2)C

InChI

InChI=1S/C32H51N2O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-37-30-23-19-21-28(29-22-20-24-34(3)33-29)31(30)32(35)38-26-27(2)36-4/h19-24,27H,5-18,25-26H2,1-4H3/q+1