dicopper trisodium 8-oxidanidyl-7-[[2-oxidanidyl-4-[3-oxidanidyl-4-[(3-oxidanidyl-6-phenylazanyl-1-sulfonato-naphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate

Systemtic Name: dicopper trisodium 8-oxidanidyl-7-[[2-oxidanidyl-4-[3-oxidanidyl-4-[(3-oxidanidyl-6-phenylazanyl-1-sulfonato-naphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonate Openeye Name: dicopper trisodium 7-[4-[4-[(6-anilino-3-oxido-1-sulfonato-2-naphthyl)azo]-3-oxido-phenyl]-2-oxido-phenyl]azo-8-oxido-naphthalene-1,6-disulfonate CAS Name: dicopper trisodium 7-[4-[4-[(6-anilino-3-oxido-1-sulfonato-2-naphthalenyl)azo]-3-oxidophenyl]-2-oxidophenyl]azo-8-oxidonaphthalene-1,6-disulfonate IUPAC Name: dicopper trisodium 7-[[4-[4-[(6-anilino-3-oxido-1-sulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-8-oxidonaphthalene-1,6-disulfonate Traditional Name: dicupric trisodium 7-[4-[4-[(6-anilino-3-oxido-1-sulfonato-2-naphthyl)azo]-3-oxido-phenyl]-2-oxido-phenyl]azo-8-oxido-naphthalene-1,6-disulfonate Formula: C38H20Cu2N5Na3O13S3 MolecularWeight: 1046.84741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC3=CC(=C(C(=C3C=C2)S(=O)(=O)[O-])N=NC4=C(C=C(C=C4)C5=CC(=C(C=C5)N=NC6=C(C=C7C=CC=C(C7=C6[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC3=CC(=C(C(=C3C=C2)S(=O)(=O)[O-])N=NC4=C(C=C(C=C4)C5=CC(=C(C=C5)N=NC6=C(C=C7C=CC=C(C7=C6[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2]

InChI

InChI=1S/C38H27N5O13S3.2Cu.3Na/c44-29-16-20(9-13-27(29)40-42-35-31(46)18-23-15-25(39-24-6-2-1-3-7-24)11-12-26(23)38(35)59(54,55)56)21-10-14-28(30(45)17-21)41-43-36-33(58(51,52)53)19-22-5-4-8-32(57(48,49)50)34(22)37(36)47;;;;;/h1-19,39,44-47H,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;;/q;2*+2;3*+1/p-7