disodium 4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfonato-naphthalen-2-yl)diazenyl]-2-iodanyl-phenyl]phenyl]diazenyl]naphthalene-1-sulfonate

Systemtic Name: disodium 4-azanyl-3-[[4-[4-[(1-azanyl-4-sulfonato-naphthalen-2-yl)diazenyl]-2-iodanyl-phenyl]phenyl]diazenyl]naphthalene-1-sulfonate Openeye Name: disodium 4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthyl)azo]-2-iodanyl-phenyl]phenyl]azo-naphthalene-1-sulfonate CAS Name: disodium 4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthalenyl)azo]-2-iodanylphenyl]phenyl]azo-1-naphthalenesulfonate IUPAC Name: disodium 4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]-2-iodanylphenyl]phenyl]diazenyl]naphthalene-1-sulfonate Traditional Name: disodium 4-amino-3-[4-[4-[(1-amino-4-sulfonato-2-naphthyl)azo]-2-iodanyl-phenyl]phenyl]azo-naphthalene-1-sulfonate Formula: C32H21IN6Na2O6S2 MolecularWeight: 818.560878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=C(C=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N)I)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=C(C=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N)[123I])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C32H23IN6O6S2.2Na/c33-26-15-20(37-39-28-17-30(47(43,44)45)23-6-2-4-8-25(23)32(28)35)13-14-21(26)18-9-11-19(12-10-18)36-38-27-16-29(46(40,41)42)22-5-1-3-7-24(22)31(27)34;;/h1-17H,34-35H2,(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2/i33-4;;