dicopper trisodium 4-oxidanidyl-7-[[5-oxidanidyl-6-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]-7-sulfonato-naphthalen-2-yl]carbamoylamino]-3-[(2-oxidanidyl-4-sulfonato-phenyl)diazenyl]naphthalene-2-sulfonate

Systemtic Name: dicopper trisodium 4-oxidanidyl-7-[[5-oxidanidyl-6-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]-7-sulfonato-naphthalen-2-yl]carbamoylamino]-3-[(2-oxidanidyl-4-sulfonato-phenyl)diazenyl]naphthalene-2-sulfonate Openeye Name: dicopper trisodium 4-oxido-7-[[5-oxido-6-(2-oxido-5-sulfamoyl-phenyl)azo-7-sulfonato-2-naphthyl]carbamoylamino]-3-(2-oxido-4-sulfonato-phenyl)azo-naphthalene-2-sulfonate CAS Name: dicopper trisodium 4-oxido-7-[[[[5-oxido-6-(2-oxido-5-sulfamoylphenyl)azo-7-sulfonato-2-naphthalenyl]amino]-oxomethyl]amino]-3-(2-oxido-4-sulfonatophenyl)azo-2-naphthalenesulfonate IUPAC Name: dicopper trisodium 4-oxido-7-[[5-oxido-6-[(2-oxido-5-sulfamoylphenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]carbamoylamino]-3-[(2-oxido-4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate Traditional Name: dicupric trisodium 4-oxido-7-[[5-oxido-6-(2-oxido-5-sulfamoyl-phenyl)azo-7-sulfonato-2-naphthyl]carbamoylamino]-3-(2-oxido-4-sulfonato-phenyl)azo-naphthalene-2-sulfonate Formula: C33H18Cu2N7Na3O16S4 MolecularWeight: 1092.85463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2C=C1NC(=O)NC3=CC4=CC(=C(C(=C4C=C3)[O-])N=NC5=C(C=CC(=C5)S(=O)(=O)N)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC6=C(C=C(C=C6)S(=O)(=O)[O-])[O-])[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]

Isomeric SMILES

C1=CC2=C(C(=C(C=C2C=C1NC(=O)NC3=CC4=CC(=C(C(=C4C=C3)[O-])N=NC5=C(C=CC(=C5)S(=O)(=O)N)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC6=C(C=C(C=C6)S(=O)(=O)[O-])[O-])[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]

InChI

InChI=1S/C33H25N7O16S4.2Cu.3Na/c34-57(46,47)19-4-8-25(41)24(13-19)38-40-30-28(60(54,55)56)12-16-10-18(2-6-22(16)32(30)44)36-33(45)35-17-1-5-21-15(9-17)11-27(59(51,52)53)29(31(21)43)39-37-23-7-3-20(14-26(23)42)58(48,49)50;;;;;/h1-14,41-44H,(H2,34,46,47)(H2,35,36,45)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;;/q;2*+2;3*+1/p-7