2,2-bis[4-(2,4-dichlorophenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl]decanedioate

Systemtic Name: 2,2-bis[4-(2,4-dichlorophenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl]decanedioate Openeye Name: 2,2-bis[4-(2,4-dichlorobenzoyl)-2,5-dimethyl-pyrazol-3-yl]decanedioate CAS Name: 2,2-bis[4-[(2,4-dichlorophenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolyl]decanedioate IUPAC Name: 2,2-bis[4-(2,4-dichlorobenzoyl)-2,5-dimethylpyrazol-3-yl]decanedioate Traditional Name: 2,2-bis[4-(2,4-dichlorobenzoyl)-2,5-dimethyl-pyrazol-3-yl]sebacate Formula: C34H32Cl4N4O6-2 MolecularWeight: 734.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)C(CCCCCCCC(=O)[O-])(C3=C(C(=NN3C)C)C(=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)C(CCCCCCCC(=O)[O-])(C3=C(C(=NN3C)C)C(=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)[O-])C

InChI

InChI=1S/C34H34Cl4N4O6/c1-18-27(29(45)22-13-11-20(35)16-24(22)37)31(41(3)39-18)34(33(47)48,15-9-7-5-6-8-10-26(43)44)32-28(19(2)40-42(32)4)30(46)23-14-12-21(36)17-25(23)38/h11-14,16-17H,5-10,15H2,1-4H3,(H,43,44)(H,47,48)/p-2