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

Systemtic Name: bis(6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) hexanedioate Openeye Name: bis(6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) hexanedioate CAS Name: hexanedioic acid bis(6,7-diphenyl-5-pyrrolo[1,2-b]pyridazinyl) ester IUPAC Name: bis(6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) hexanedioate Traditional Name: adipic acid bis(6,7-diphenylpyrrolo[1,2-b]pyridazin-5-yl) ester Formula: C44H34N4O4 MolecularWeight: 682.76516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N3C(=C2OC(=O)CCCCC(=O)OC4=C5C=CC=NN5C(=C4C6=CC=CC=C6)C7=CC=CC=C7)C=CC=N3)C8=CC=CC=C8

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N3C(=C2OC(=O)CCCCC(=O)OC4=C5C=CC=NN5C(=C4C6=CC=CC=C6)C7=CC=CC=C7)C=CC=N3)C8=CC=CC=C8

InChI

InChI=1S/C44H34N4O4/c49-37(51-43-35-25-15-29-45-47(35)41(33-21-9-3-10-22-33)39(43)31-17-5-1-6-18-31)27-13-14-28-38(50)52-44-36-26-16-30-46-48(36)42(34-23-11-4-12-24-34)40(44)32-19-7-2-8-20-32/h1-12,15-26,29-30H,13-14,27-28H2