copper; hydron; 4-oxidanidyl-3-[(2-oxidanidyl-5-sulfonato-phenyl)diazenyl]-5-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]naphthalene-2,7-disulfonate

Systemtic Name: copper; hydron; 4-oxidanidyl-3-[(2-oxidanidyl-5-sulfonato-phenyl)diazenyl]-5-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]naphthalene-2,7-disulfonate Openeye Name: copper; hydron; 4-oxido-3-(2-oxido-5-sulfonato-phenyl)azo-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulfonate CAS Name: copper; hydron; 4-oxido-3-(2-oxido-5-sulfonatophenyl)azo-5-[(2,5,6-trichloro-4-pyrimidinyl)amino]naphthalene-2,7-disulfonate IUPAC Name: copper; hydron; 4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulfonate Traditional Name: cupric; hydron; 4-oxido-3-(2-oxido-5-sulfonato-phenyl)azo-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulfonate Formula: C20H10Cl3CuN5O11S3 MolecularWeight: 762.4203

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].[H+].C1=CC(=C(C=C1S(=O)(=O)[O-])N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=C(C(=NC(=N4)Cl)Cl)Cl)[O-])[O-].[Cu+2]

Isomeric SMILES

[H+].[H+].[H+].C1=CC(=C(C=C1S(=O)(=O)[O-])N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=C(C(=NC(=N4)Cl)Cl)Cl)[O-])[O-].[Cu+2]

InChI

InChI=1S/C20H12Cl3N5O11S3.Cu/c21-15-18(22)25-20(23)26-19(15)24-11-6-9(41(34,35)36)3-7-4-13(42(37,38)39)16(17(30)14(7)11)28-27-10-5-8(40(31,32)33)1-2-12(10)29;/h1-6,29-30H,(H,24,25,26)(H,31,32,33)(H,34,35,36)(H,37,38,39);/q;+2/p-2