bis[2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxidanylidene-pyridazin-1-yl]ethyl] butanedioate

Systemtic Name: bis[2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxidanylidene-pyridazin-1-yl]ethyl] butanedioate Openeye Name: bis[2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-pyridazin-1-yl]ethyl] butanedioate CAS Name: butanedioic acid bis[2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1-pyridazinyl]ethyl] ester IUPAC Name: bis[2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxopyridazin-1-yl]ethyl] butanedioate Traditional Name: succinic acid bis[2-[3,4-bis(4-chlorophenyl)-5-cyano-6-keto-pyridazin-1-yl]ethyl] ester Formula: C42H28Cl4N6O6 MolecularWeight: 854.52032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)Cl)CCOC(=O)CCC(=O)OCCN4C(=O)C(=C(C(=N4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl)C#N)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)Cl)CCOC(=O)CCC(=O)OCCN4C(=O)C(=C(C(=N4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl)C#N)C#N)Cl

InChI

InChI=1S/C42H28Cl4N6O6/c43-29-9-1-25(2-10-29)37-33(23-47)41(55)51(49-39(37)27-5-13-31(45)14-6-27)19-21-57-35(53)17-18-36(54)58-22-20-52-42(56)34(24-48)38(26-3-11-30(44)12-4-26)40(50-52)28-7-15-32(46)16-8-28/h1-16H,17-22H2