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

Systemtic Name: dicopper trisodium 4-[[4-[4-[(6-azanyl-1-oxidanidyl-3-sulfonato-naphthalen-2-yl)diazenyl]-3-oxidanidyl-phenyl]-2-oxidanidyl-phenyl]diazenyl]-3-oxidanidyl-naphthalene-2,7-disulfonate Openeye Name: dicopper trisodium 4-[4-[4-[(6-amino-1-oxido-3-sulfonato-2-naphthyl)azo]-3-oxido-phenyl]-2-oxido-phenyl]azo-3-oxido-naphthalene-2,7-disulfonate CAS Name: dicopper trisodium 4-[4-[4-[(6-amino-1-oxido-3-sulfonato-2-naphthalenyl)azo]-3-oxidophenyl]-2-oxidophenyl]azo-3-oxidonaphthalene-2,7-disulfonate IUPAC Name: dicopper trisodium 4-[[4-[4-[(6-amino-1-oxido-3-sulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-3-oxidonaphthalene-2,7-disulfonate Traditional Name: dicupric trisodium 4-[4-[4-[(6-amino-1-oxido-3-sulfonato-2-naphthyl)azo]-3-oxido-phenyl]-2-oxido-phenyl]azo-3-oxido-naphthalene-2,7-disulfonate Formula: C32H16Cu2N5Na3O13S3 MolecularWeight: 970.75145

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3[O-])N)S(=O)(=O)[O-])[O-])[O-])N=NC5=C6C=CC(=CC6=CC(=C5[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3[O-])N)S(=O)(=O)[O-])[O-])[O-])N=NC5=C6C=CC(=CC6=CC(=C5[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]

InChI

InChI=1S/C32H23N5O13S3.2Cu.3Na/c33-19-3-5-22-17(9-19)13-27(52(45,46)47)30(31(22)40)37-35-24-8-2-16(12-26(24)39)15-1-7-23(25(38)11-15)34-36-29-21-6-4-20(51(42,43)44)10-18(21)14-28(32(29)41)53(48,49)50;;;;;/h1-14,38-41H,33H2,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;;/q;2*+2;3*+1/p-7