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

Systemtic Name: copper trisodium 4-oxidanidyl-5-[[1-oxidanidyl-3-sulfonato-6-[[4-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]phenyl]amino]naphthalen-2-yl]diazenyl]benzene-1,3-disulfonate Openeye Name: copper trisodium 4-oxido-5-[[1-oxido-3-sulfonato-6-[4-[(2,5,6-trichloropyrimidin-4-yl)amino]anilino]-2-naphthyl]azo]benzene-1,3-disulfonate CAS Name: copper trisodium 4-oxido-5-[[1-oxido-3-sulfonato-6-[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]anilino]-2-naphthalenyl]azo]benzene-1,3-disulfonate IUPAC Name: copper trisodium 4-oxido-5-[[1-oxido-3-sulfonato-6-[4-[(2,5,6-trichloropyrimidin-4-yl)amino]anilino]naphthalen-2-yl]diazenyl]benzene-1,3-disulfonate Traditional Name: cupric trisodium 4-oxido-5-[[1-oxido-3-sulfonato-6-[4-[(2,5,6-trichloropyrimidin-4-yl)amino]anilino]-2-naphthyl]azo]benzene-1,3-disulfonate Formula: C26H12Cl3CuN6Na3O11S3 MolecularWeight: 919.47639

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=CC(=CC(=C4[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC5=C(C(=NC(=N5)Cl)Cl)Cl.[Na+].[Na+].[Na+].[Cu+2]

Isomeric SMILES

C1=CC(=CC=C1NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=CC(=CC(=C4[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC5=C(C(=NC(=N5)Cl)Cl)Cl.[Na+].[Na+].[Na+].[Cu+2]

InChI

InChI=1S/C26H17Cl3N6O11S3.Cu.3Na/c27-20-24(28)32-26(29)33-25(20)31-13-3-1-12(2-4-13)30-14-5-6-16-11(7-14)8-18(48(41,42)43)21(22(16)36)35-34-17-9-15(47(38,39)40)10-19(23(17)37)49(44,45)46;;;;/h1-10,30,36-37H,(H,31,32,33)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;;/q;+2;3*+1/p-5