dicopper tetrasodium 5-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-oxidanidyl-3-[[2-oxidanidyl-4-[3-oxidanidyl-4-[(2-oxidanidyl-3,6-disulfonato-naphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate

Systemtic Name: dicopper tetrasodium 5-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-oxidanidyl-3-[[2-oxidanidyl-4-[3-oxidanidyl-4-[(2-oxidanidyl-3,6-disulfonato-naphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate Openeye Name: dicopper tetrasodium 5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-4-oxido-3-[2-oxido-4-[3-oxido-4-[(2-oxido-3,6-disulfonato-1-naphthyl)azo]phenyl]phenyl]azo-naphthalene-2,7-disulfonate CAS Name: dicopper tetrasodium 5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-4-oxido-3-[2-oxido-4-[3-oxido-4-[(2-oxido-3,6-disulfonato-1-naphthalenyl)azo]phenyl]phenyl]azonaphthalene-2,7-disulfonate IUPAC Name: dicopper tetrasodium 5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-oxido-3-[[2-oxido-4-[3-oxido-4-[(2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate Traditional Name: dicupric tetrasodium 5-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)azo]-4-oxido-3-[2-oxido-4-[3-oxido-4-[(2-oxido-3,6-disulfonato-1-naphthyl)azo]phenyl]phenyl]azo-naphthalene-2,7-disulfonate Formula: C42H22Cu2N8Na4O17S4 MolecularWeight: 1257.97856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=C3[O-])N=NC4=C(C=C(C=C4)C5=CC(=C(C=C5)N=NC6=C7C=CC(=CC7=CC(=C6[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])S(=O)(=O)[O-])C8=CC=CC=C8.[Na+].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=C3[O-])N=NC4=C(C=C(C=C4)C5=CC(=C(C=C5)N=NC6=C7C=CC(=CC7=CC(=C6[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])S(=O)(=O)[O-])C8=CC=CC=C8.[Na+].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]

InChI

InChI=1S/C42H30N8O17S4.2Cu.4Na/c1-20-37(42(55)50(49-20)25-5-3-2-4-6-25)46-45-31-19-27(69(59,60)61)14-24-18-34(70(62,63)64)39(41(54)36(24)31)48-44-30-12-8-22(16-33(30)52)21-7-11-29(32(51)15-21)43-47-38-28-10-9-26(68(56,57)58)13-23(28)17-35(40(38)53)71(65,66)67;;;;;;/h2-19,37,51-54H,1H3,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;;;/q;2*+2;4*+1/p-8