1-[6-(4-nonylphenyl)pyridazin-3-yl]oxypropan-2-yl hexanoate

Systemtic Name: 1-[6-(4-nonylphenyl)pyridazin-3-yl]oxypropan-2-yl hexanoate Openeye Name: [1-methyl-2-[6-(4-nonylphenyl)pyridazin-3-yl]oxy-ethyl] hexanoate CAS Name: hexanoic acid 1-[[6-(4-nonylphenyl)-3-pyridazinyl]oxy]propan-2-yl ester IUPAC Name: 1-[6-(4-nonylphenyl)pyridazin-3-yl]oxypropan-2-yl hexanoate Traditional Name: hexanoic acid [1-methyl-2-[6-(4-nonylphenyl)pyridazin-3-yl]oxy-ethyl] ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NN=C(C=C2)OCC(C)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NN=C(C=C2)OCC(C)OC(=O)CCCCC

InChI

InChI=1S/C28H42N2O3/c1-4-6-8-9-10-11-13-14-24-16-18-25(19-17-24)26-20-21-27(30-29-26)32-22-23(3)33-28(31)15-12-7-5-2/h16-21,23H,4-15,22H2,1-3H3