copper trisodium 4-azanyl-5-oxidanidyl-6-[[2-oxidanidyl-3-sulfonato-5-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]phenyl]diazenyl]naphthalene-1,3-disulfonate

Systemtic Name: copper trisodium 4-azanyl-5-oxidanidyl-6-[[2-oxidanidyl-3-sulfonato-5-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]phenyl]diazenyl]naphthalene-1,3-disulfonate Openeye Name: copper trisodium 4-amino-5-oxido-6-[2-oxido-3-sulfonato-5-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]azo-naphthalene-1,3-disulfonate CAS Name: copper trisodium 4-amino-5-oxido-6-[2-oxido-3-sulfonato-5-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azonaphthalene-1,3-disulfonate IUPAC Name: copper trisodium 4-amino-5-oxido-6-[[2-oxido-3-sulfonato-5-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]naphthalene-1,3-disulfonate Traditional Name: cupric trisodium 4-amino-5-oxido-6-[2-oxido-3-sulfonato-5-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]azo-naphthalene-1,3-disulfonate Formula: C20H8Cl3CuN6Na3O11S3 MolecularWeight: 843.38043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1C(=CC(=C2N)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])N=NC3=CC(=CC(=C3[O-])S(=O)(=O)[O-])NC4=C(C(=NC(=N4)Cl)Cl)Cl.[Na+].[Na+].[Na+].[Cu+2]

Isomeric SMILES

C1=CC(=C(C2=C1C(=CC(=C2N)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])N=NC3=CC(=CC(=C3[O-])S(=O)(=O)[O-])NC4=C(C(=NC(=N4)Cl)Cl)Cl.[Na+].[Na+].[Na+].[Cu+2]

InChI

InChI=1S/C20H13Cl3N6O11S3.Cu.3Na/c21-14-18(22)26-20(23)27-19(14)25-6-3-9(16(30)12(4-6)43(38,39)40)29-28-8-2-1-7-10(41(32,33)34)5-11(42(35,36)37)15(24)13(7)17(8)31;;;;/h1-5,30-31H,24H2,(H,25,26,27)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;;/q;+2;3*+1/p-5