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

Systemtic Name: copper trisodium 4-azanyl-5-oxidanidyl-6-[[2-oxidanidyl-4-sulfonato-6-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]naphthalen-1-yl]diazenyl]naphthalene-1,3-disulfonate Openeye Name: copper trisodium 4-amino-5-oxido-6-[[2-oxido-4-sulfonato-6-[(2,5,6-trichloropyrimidin-4-yl)amino]-1-naphthyl]azo]naphthalene-1,3-disulfonate CAS Name: copper trisodium 4-amino-5-oxido-6-[[2-oxido-4-sulfonato-6-[(2,5,6-trichloro-4-pyrimidinyl)amino]-1-naphthalenyl]azo]naphthalene-1,3-disulfonate IUPAC Name: copper trisodium 4-amino-5-oxido-6-[[2-oxido-4-sulfonato-6-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalen-1-yl]diazenyl]naphthalene-1,3-disulfonate Traditional Name: cupric trisodium 4-amino-5-oxido-6-[[2-oxido-4-sulfonato-6-[(2,5,6-trichloropyrimidin-4-yl)amino]-1-naphthyl]azo]naphthalene-1,3-disulfonate Formula: C24H10Cl3CuN6Na3O11S3 MolecularWeight: 893.43911

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CC(=C2C=C1NC3=C(C(=NC(=N3)Cl)Cl)Cl)S(=O)(=O)[O-])[O-])N=NC4=C(C5=C(C=C4)C(=CC(=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Cu+2]

Isomeric SMILES

C1=CC2=C(C(=CC(=C2C=C1NC3=C(C(=NC(=N3)Cl)Cl)Cl)S(=O)(=O)[O-])[O-])N=NC4=C(C5=C(C=C4)C(=CC(=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Cu+2]

InChI

InChI=1S/C24H15Cl3N6O11S3.Cu.3Na/c25-18-22(26)30-24(27)31-23(18)29-8-1-2-9-11(5-8)14(45(36,37)38)6-13(34)20(9)33-32-12-4-3-10-15(46(39,40)41)7-16(47(42,43)44)19(28)17(10)21(12)35;;;;/h1-7,34-35H,28H2,(H,29,30,31)(H,36,37,38)(H,39,40,41)(H,42,43,44);;;;/q;+2;3*+1/p-5