pentasodium; 3-[(5-chloranyl-2-oxidanidyl-phenyl)diazenyl]-4-oxidanidyl-5-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]naphthalene-2,7-disulfonate; chromium(3+)

Systemtic Name: pentasodium; 3-[(5-chloranyl-2-oxidanidyl-phenyl)diazenyl]-4-oxidanidyl-5-[[2,5,6-tris(chloranyl)pyrimidin-4-yl]amino]naphthalene-2,7-disulfonate; chromium(3+) Openeye Name: chromic pentasodium 3-(5-chloro-2-oxido-phenyl)azo-4-oxido-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulfonate CAS Name: pentasodium; 3-(5-chloro-2-oxidophenyl)azo-4-oxido-5-[(2,5,6-trichloro-4-pyrimidinyl)amino]naphthalene-2,7-disulfonate; chromium(3+) IUPAC Name: pentasodium; 3-[(5-chloro-2-oxidophenyl)diazenyl]-4-oxido-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulfonate; chromium(3+) Traditional Name: chromic pentasodium 3-(5-chloro-2-oxido-phenyl)azo-4-oxido-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulfonate Formula: C40H14Cl8CrN10Na5O16S4 MolecularWeight: 1469.42551

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)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-].C1=CC(=C(C=C1Cl)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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Cr+3]

Isomeric SMILES

C1=CC(=C(C=C1Cl)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-].C1=CC(=C(C=C1Cl)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-].[Na+].[Na+].[Na+].[Na+].[Na+].[Cr+3]

InChI

InChI=1S/2C20H11Cl4N5O8S2.Cr.5Na/c2*21-8-1-2-12(30)10(5-8)28-29-16-13(39(35,36)37)4-7-3-9(38(32,33)34)6-11(14(7)17(16)31)25-19-15(22)18(23)26-20(24)27-19;;;;;;/h2*1-6,30-31H,(H,25,26,27)(H,32,33,34)(H,35,36,37);;;;;;/q;;+3;5*+1/p-8