dicopper trisodium 2-[[1-oxidanidyl-6-[[5-oxidanidyl-6-[(2-oxidanidyl-5-sulfonato-phenyl)diazenyl]-7-sulfonato-naphthalen-2-yl]carbamoylamino]-3-sulfonato-naphthalen-2-yl]diazenyl]benzoate

Systemtic Name: dicopper trisodium 2-[[1-oxidanidyl-6-[[5-oxidanidyl-6-[(2-oxidanidyl-5-sulfonato-phenyl)diazenyl]-7-sulfonato-naphthalen-2-yl]carbamoylamino]-3-sulfonato-naphthalen-2-yl]diazenyl]benzoate Openeye Name: dicopper trisodium 2-[[1-oxido-6-[[5-oxido-6-(2-oxido-5-sulfonato-phenyl)azo-7-sulfonato-2-naphthyl]carbamoylamino]-3-sulfonato-2-naphthyl]azo]benzoate CAS Name: dicopper trisodium 2-[[1-oxido-6-[[[[5-oxido-6-(2-oxido-5-sulfonatophenyl)azo-7-sulfonato-2-naphthalenyl]amino]-oxomethyl]amino]-3-sulfonato-2-naphthalenyl]azo]benzoate IUPAC Name: dicopper trisodium 2-[[1-oxido-6-[[5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]carbamoylamino]-3-sulfonatonaphthalen-2-yl]diazenyl]benzoate Traditional Name: dicupric trisodium 2-[[1-oxido-6-[[5-oxido-6-(2-oxido-5-sulfonato-phenyl)azo-7-sulfonato-2-naphthyl]carbamoylamino]-3-sulfonato-2-naphthyl]azo]benzoate Formula: C34H17Cu2N6Na3O15S3 MolecularWeight: 1041.78629

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2[O-])NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)[O-])N=NC6=C(C=CC(=C6)S(=O)(=O)[O-])[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])N=NC2=C(C=C3C=C(C=CC3=C2[O-])NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)[O-])N=NC6=C(C=CC(=C6)S(=O)(=O)[O-])[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]

InChI

InChI=1S/C34H24N6O15S3.2Cu.3Na/c41-26-10-7-20(56(47,48)49)15-25(26)38-40-30-28(58(53,54)55)14-17-12-19(6-9-22(17)32(30)43)36-34(46)35-18-5-8-21-16(11-18)13-27(57(50,51)52)29(31(21)42)39-37-24-4-2-1-3-23(24)33(44)45;;;;;/h1-15,41-43H,(H,44,45)(H2,35,36,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;;;;/q;2*+2;3*+1/p-7