triazanium dicopper 3-oxidanidyl-4-[[2-oxidanidyl-4-[3-oxidanidyl-4-[(2-oxidanidyl-6-sulfonato-naphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate

Systemtic Name: triazanium dicopper 3-oxidanidyl-4-[[2-oxidanidyl-4-[3-oxidanidyl-4-[(2-oxidanidyl-6-sulfonato-naphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate Openeye Name: triammonium dicopper 3-oxido-4-[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonato-1-naphthyl)azo]phenyl]phenyl]azo-naphthalene-2,7-disulfonate CAS Name: triammonium dicopper 3-oxido-4-[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonato-1-naphthalenyl)azo]phenyl]phenyl]azonaphthalene-2,7-disulfonate IUPAC Name: triazanium dicopper 3-oxido-4-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate Traditional Name: triammonium dicupric 3-oxido-4-[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonato-1-naphthyl)azo]phenyl]phenyl]azo-naphthalene-2,7-disulfonate Formula: C32H27Cu2N7O13S3 MolecularWeight: 940.88288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])N=NC5=C(C=CC6=C5C=CC(=C6)S(=O)(=O)[O-])[O-].[NH4+].[NH4+].[NH4+].[Cu+2].[Cu+2]

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])N=NC5=C(C=CC6=C5C=CC(=C6)S(=O)(=O)[O-])[O-].[NH4+].[NH4+].[NH4+].[Cu+2].[Cu+2]

InChI

InChI=1S/C32H22N4O13S3.2Cu.3H3N/c37-26-10-3-18-11-20(50(41,42)43)4-6-22(18)30(26)35-33-24-8-1-16(13-27(24)38)17-2-9-25(28(39)14-17)34-36-31-23-7-5-21(51(44,45)46)12-19(23)15-29(32(31)40)52(47,48)49;;;;;/h1-15,37-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;3*1H3/q;2*+2;;;/p-4