dicopper disodium 3-methyl-4-[3-methyl-4-[[4-[[3-[[3-methyl-1-(2-methyl-4-sulfonato-phenyl)-5-oxidanidyl-pyrazol-4-yl]diazenyl]-4-oxidanidyl-phenyl]methyl]-2-oxidanidyl-phenyl]diazenyl]-5-oxidanidyl-pyrazol-1-yl]benzenesulfonate

Systemtic Name: dicopper disodium 3-methyl-4-[3-methyl-4-[[4-[[3-[[3-methyl-1-(2-methyl-4-sulfonato-phenyl)-5-oxidanidyl-pyrazol-4-yl]diazenyl]-4-oxidanidyl-phenyl]methyl]-2-oxidanidyl-phenyl]diazenyl]-5-oxidanidyl-pyrazol-1-yl]benzenesulfonate Openeye Name: dicopper disodium 3-methyl-4-[3-methyl-4-[4-[[3-[3-methyl-1-(2-methyl-4-sulfonato-phenyl)-5-oxido-pyrazol-4-yl]azo-4-oxido-phenyl]methyl]-2-oxido-phenyl]azo-5-oxido-pyrazol-1-yl]benzenesulfonate CAS Name: dicopper disodium 3-methyl-4-[3-methyl-4-[4-[[3-[[3-methyl-1-(2-methyl-4-sulfonatophenyl)-5-oxido-4-pyrazolyl]azo]-4-oxidophenyl]methyl]-2-oxidophenyl]azo-5-oxido-1-pyrazolyl]benzenesulfonate IUPAC Name: dicopper disodium 3-methyl-4-[3-methyl-4-[[4-[[3-[[3-methyl-1-(2-methyl-4-sulfonatophenyl)-5-oxidopyrazol-4-yl]diazenyl]-4-oxidophenyl]methyl]-2-oxidophenyl]diazenyl]-5-oxidopyrazol-1-yl]benzenesulfonate Traditional Name: dicupric disodium 3-methyl-4-[3-methyl-4-[4-[3-[3-methyl-1-(2-methyl-4-sulfonato-phenyl)-5-oxido-pyrazol-4-yl]azo-4-oxido-benzyl]-2-oxido-phenyl]azo-5-oxido-pyrazol-1-yl]besylate Formula: C35H26Cu2N8Na2O10S2 MolecularWeight: 955.83008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)[O-])N2C(=C(C(=N2)C)N=NC3=C(C=C(C=C3)CC4=CC(=C(C=C4)[O-])N=NC5=C(N(N=C5C)C6=C(C=C(C=C6)S(=O)(=O)[O-])C)[O-])[O-])[O-].[Na+].[Na+].[Cu+2].[Cu+2]

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[O-])N2C(=C(C(=N2)C)N=NC3=C(C=C(C=C3)CC4=CC(=C(C=C4)[O-])N=NC5=C(N(N=C5C)C6=C(C=C(C=C6)S(=O)(=O)[O-])C)[O-])[O-])[O-].[Na+].[Na+].[Cu+2].[Cu+2]

InChI

InChI=1S/C35H32N8O10S2.2Cu.2Na/c1-18-13-24(54(48,49)50)7-10-28(18)42-34(46)32(20(3)40-42)38-36-26-9-5-23(17-31(26)45)15-22-6-12-30(44)27(16-22)37-39-33-21(4)41-43(35(33)47)29-11-8-25(14-19(29)2)55(51,52)53;;;;/h5-14,16-17,44-47H,15H2,1-4H3,(H,48,49,50)(H,51,52,53);;;;/q;2*+2;2*+1/p-6