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

Systemtic Name: dicopper trisodium 4-oxidanidyl-3-[[2-oxidanidyl-4-[3-oxidanidyl-4-[(1-oxidanidyl-4-sulfonato-naphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate Openeye Name: dicopper trisodium 4-oxido-3-[2-oxido-4-[3-oxido-4-[(1-oxido-4-sulfonato-2-naphthyl)azo]phenyl]phenyl]azo-naphthalene-2,7-disulfonate CAS Name: dicopper trisodium 4-oxido-3-[2-oxido-4-[3-oxido-4-[(1-oxido-4-sulfonato-2-naphthalenyl)azo]phenyl]phenyl]azonaphthalene-2,7-disulfonate IUPAC Name: dicopper trisodium 4-oxido-3-[[2-oxido-4-[3-oxido-4-[(1-oxido-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate Traditional Name: dicupric trisodium 4-oxido-3-[2-oxido-4-[3-oxido-4-[(1-oxido-4-sulfonato-2-naphthyl)azo]phenyl]phenyl]azo-naphthalene-2,7-disulfonate Formula: C32H15Cu2N4Na3O13S3 MolecularWeight: 955.73681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2[O-])N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5=C(C=C6C=C(C=CC6=C5[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2[O-])N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5=C(C=C6C=C(C=CC6=C5[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]

InChI

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