copper tetrasodium 2-[[4-chloranyl-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-5-oxidanidyl-6-[(2-oxidanidyl-5-sulfonato-phenyl)diazenyl]naphthalene-1,7-disulfonate

Systemtic Name: copper tetrasodium 2-[[4-chloranyl-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-5-oxidanidyl-6-[(2-oxidanidyl-5-sulfonato-phenyl)diazenyl]naphthalene-1,7-disulfonate Openeye Name: copper tetrasodium 2-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-5-oxido-6-(2-oxido-5-sulfonato-phenyl)azo-naphthalene-1,7-disulfonate CAS Name: copper tetrasodium 2-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-5-oxido-6-(2-oxido-5-sulfonatophenyl)azonaphthalene-1,7-disulfonate IUPAC Name: copper tetrasodium 2-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-5-oxido-6-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-1,7-disulfonate Traditional Name: cupric tetrasodium 2-[[4-chloro-6-(4-sulfonatoanilino)-s-triazin-2-yl]amino]-5-oxido-6-(2-oxido-5-sulfonato-phenyl)azo-naphthalene-1,7-disulfonate Formula: C25H12ClCuN7Na4O14S4 MolecularWeight: 953.61936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)NC3=C(C4=CC(=C(C(=C4C=C3)[O-])N=NC5=C(C=CC(=C5)S(=O)(=O)[O-])[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2]

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)NC3=C(C4=CC(=C(C(=C4C=C3)[O-])N=NC5=C(C=CC(=C5)S(=O)(=O)[O-])[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2]

InChI

InChI=1S/C25H18ClN7O14S4.Cu.4Na/c26-23-29-24(27-11-1-3-12(4-2-11)48(36,37)38)31-25(30-23)28-16-7-6-14-15(22(16)51(45,46)47)10-19(50(42,43)44)20(21(14)35)33-32-17-9-13(49(39,40)41)5-8-18(17)34;;;;;/h1-10,34-35H,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,27,28,29,30,31);;;;;/q;+2;4*+1/p-6