copper tetrasodium 7-[[4-[[2-methoxy-5-(pyrimidin-4-ylamino)-3-sulfonato-phenyl]diazenyl]-2-oxidanidyl-phenyl]diazenyl]-8-oxidanidyl-naphthalene-1,3,6-trisulfonate

Systemtic Name: copper tetrasodium 7-[[4-[[2-methoxy-5-(pyrimidin-4-ylamino)-3-sulfonato-phenyl]diazenyl]-2-oxidanidyl-phenyl]diazenyl]-8-oxidanidyl-naphthalene-1,3,6-trisulfonate Openeye Name: copper tetrasodium 7-[4-[2-methoxy-5-(pyrimidin-4-ylamino)-3-sulfonato-phenyl]azo-2-oxido-phenyl]azo-8-oxido-naphthalene-1,3,6-trisulfonate CAS Name: copper tetrasodium 7-[4-[2-methoxy-5-(4-pyrimidinylamino)-3-sulfonatophenyl]azo-2-oxidophenyl]azo-8-oxidonaphthalene-1,3,6-trisulfonate IUPAC Name: copper tetrasodium 7-[[4-[[2-methoxy-5-(pyrimidin-4-ylamino)-3-sulfonatophenyl]diazenyl]-2-oxidophenyl]diazenyl]-8-oxidonaphthalene-1,3,6-trisulfonate Traditional Name: cupric tetrasodium 7-[4-[2-methoxy-5-(4-pyrimidylamino)-3-sulfonato-phenyl]azo-2-oxido-phenyl]azo-8-oxido-naphthalene-1,3,6-trisulfonate Formula: C27H15CuN7Na4O15S4 MolecularWeight: 961.21098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1N=NC2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])NC5=NC=NC=C5)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2]

Isomeric SMILES

COC1=C(C=C(C=C1N=NC2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])NC5=NC=NC=C5)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2]

InChI

InChI=1S/C27H21N7O15S4.Cu.4Na/c1-49-27-18(8-15(10-22(27)53(46,47)48)30-23-4-5-28-12-29-23)33-31-14-2-3-17(19(35)9-14)32-34-25-21(52(43,44)45)7-13-6-16(50(37,38)39)11-20(51(40,41)42)24(13)26(25)36;;;;;/h2-12,35-36H,1H3,(H,28,29,30)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;;/q;+2;4*+1/p-6