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

Systemtic Name: copper tetrasodium 5-[[4-chloranyl-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-oxidanidyl-3-[(2-oxidanidyl-5-sulfonato-phenyl)diazenyl]naphthalene-2,7-disulfonate Openeye Name: copper tetrasodium 5-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-4-oxido-3-(2-oxido-5-sulfonato-phenyl)azo-naphthalene-2,7-disulfonate CAS Name: copper tetrasodium 5-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-4-oxido-3-(2-oxido-5-sulfonatophenyl)azonaphthalene-2,7-disulfonate IUPAC Name: copper tetrasodium 5-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate Traditional Name: cupric tetrasodium 5-[[4-chloro-6-(4-sulfonatoanilino)-s-triazin-2-yl]amino]-4-oxido-3-(2-oxido-5-sulfonato-phenyl)azo-naphthalene-2,7-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=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4[O-])N=NC5=C(C=CC(=C5)S(=O)(=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=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4[O-])N=NC5=C(C=CC(=C5)S(=O)(=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(27-12-1-3-13(4-2-12)48(36,37)38)31-25(30-23)28-17-10-15(50(42,43)44)7-11-8-19(51(45,46)47)21(22(35)20(11)17)33-32-16-9-14(49(39,40)41)5-6-18(16)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