(6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) hexadecanoate

Systemtic Name: (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) hexadecanoate Openeye Name: (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) hexadecanoate CAS Name: hexadecanoic acid (6,7-diphenyl-5-pyrrolo[1,2-b]pyridazinyl) ester IUPAC Name: (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) hexadecanoate Traditional Name: palmitic acid (6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) ester Formula: C35H44N2O2 MolecularWeight: 524.73606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=C2C=CC=NN2C(=C1C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=C2C=CC=NN2C(=C1C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C35H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-27-32(38)39-35-31-26-21-28-36-37(31)34(30-24-18-15-19-25-30)33(35)29-22-16-14-17-23-29/h14-19,21-26,28H,2-13,20,27H2,1H3