copper tetrasodium 5-[[4-chloranyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-4-oxidanidyl-3-[(1-oxidanidyl-4,8-disulfonato-naphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonate

Systemtic Name: copper tetrasodium 5-[[4-chloranyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]-4-oxidanidyl-3-[(1-oxidanidyl-4,8-disulfonato-naphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonate Openeye Name: copper tetrasodium 5-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-4-oxido-3-[(1-oxido-4,8-disulfonato-2-naphthyl)azo]naphthalene-2,7-disulfonate CAS Name: copper tetrasodium 5-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-4-oxido-3-[(1-oxido-4,8-disulfonato-2-naphthalenyl)azo]naphthalene-2,7-disulfonate IUPAC Name: copper tetrasodium 5-[[4-chloro-6-(2-methylanilino)-1,3,5-triazin-2-yl]amino]-4-oxido-3-[(1-oxido-4,8-disulfonatonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonate Traditional Name: cupric tetrasodium 5-[[4-chloro-6-(o-toluidino)-s-triazin-2-yl]amino]-4-oxido-3-[(1-oxido-4,8-disulfonato-2-naphthyl)azo]naphthalene-2,7-disulfonate Formula: C30H16ClCuN7Na4O14S4 MolecularWeight: 1017.70462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4[O-])N=NC5=CC(=C6C=CC=C(C6=C5[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2]

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4[O-])N=NC5=CC(=C6C=CC=C(C6=C5[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2]

InChI

InChI=1S/C30H22ClN7O14S4.Cu.4Na/c1-13-5-2-3-7-17(13)32-29-34-28(31)35-30(36-29)33-18-11-15(53(41,42)43)9-14-10-22(56(50,51)52)25(27(40)23(14)18)38-37-19-12-21(55(47,48)49)16-6-4-8-20(54(44,45)46)24(16)26(19)39;;;;;/h2-12,39-40H,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H2,32,33,34,35,36);;;;;/q;+2;4*+1/p-6