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

Systemtic Name: dicopper disodium 4-oxidanidyl-7-[[5-oxidanidyl-6-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]-7-sulfonato-naphthalen-2-yl]amino]-3-[(2-oxidanidyl-5-sulfamoyl-phenyl)diazenyl]naphthalene-2-sulfonate Openeye Name: dicopper disodium 4-oxido-7-[[5-oxido-6-(2-oxido-5-sulfamoyl-phenyl)azo-7-sulfonato-2-naphthyl]amino]-3-(2-oxido-5-sulfamoyl-phenyl)azo-naphthalene-2-sulfonate CAS Name: dicopper disodium 4-oxido-7-[[5-oxido-6-(2-oxido-5-sulfamoylphenyl)azo-7-sulfonato-2-naphthalenyl]amino]-3-(2-oxido-5-sulfamoylphenyl)azo-2-naphthalenesulfonate IUPAC Name: dicopper disodium 4-oxido-7-[[5-oxido-6-[(2-oxido-5-sulfamoylphenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]amino]-3-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalene-2-sulfonate Traditional Name: dicupric disodium 4-oxido-7-[[5-oxido-6-(2-oxido-5-sulfamoyl-phenyl)azo-7-sulfonato-2-naphthyl]amino]-3-(2-oxido-5-sulfamoyl-phenyl)azo-naphthalene-2-sulfonate Formula: C32H19Cu2N7Na2O14S4 MolecularWeight: 1026.8633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2C=C1NC3=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=CC(=C6)S(=O)(=O)N)[O-])[O-].[Na+].[Na+].[Cu+2].[Cu+2]

Isomeric SMILES

C1=CC2=C(C(=C(C=C2C=C1NC3=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=CC(=C6)S(=O)(=O)N)[O-])[O-].[Na+].[Na+].[Cu+2].[Cu+2]

InChI

InChI=1S/C32H25N7O14S4.2Cu.2Na/c33-54(44,45)19-3-7-25(40)23(13-19)36-38-29-27(56(48,49)50)11-15-9-17(1-5-21(15)31(29)42)35-18-2-6-22-16(10-18)12-28(57(51,52)53)30(32(22)43)39-37-24-14-20(55(34,46)47)4-8-26(24)41;;;;/h1-14,35,40-43H,(H2,33,44,45)(H2,34,46,47)(H,48,49,50)(H,51,52,53);;;;/q;2*+2;2*+1/p-6