heptasodium; chromium(3+); 3-[(5-nitro-2-oxidanidyl-3-sulfonato-phenyl)diazenyl]-4-oxidanidyl-6-[(3-sulfonatophenyl)amino]naphthalene-2-sulfonate

Systemtic Name: heptasodium; chromium(3+); 3-[(5-nitro-2-oxidanidyl-3-sulfonato-phenyl)diazenyl]-4-oxidanidyl-6-[(3-sulfonatophenyl)amino]naphthalene-2-sulfonate Openeye Name: chromic heptasodium 3-(5-nitro-2-oxido-3-sulfonato-phenyl)azo-4-oxido-6-(3-sulfonatoanilino)naphthalene-2-sulfonate CAS Name: heptasodium; chromium(3+); 3-(5-nitro-2-oxido-3-sulfonatophenyl)azo-4-oxido-6-(3-sulfonatoanilino)-2-naphthalenesulfonate IUPAC Name: heptasodium; chromium(3+); 3-[(5-nitro-2-oxido-3-sulfonatophenyl)diazenyl]-4-oxido-6-(3-sulfonatoanilino)naphthalene-2-sulfonate Traditional Name: chromic heptasodium 3-(5-nitro-2-oxido-3-sulfonato-phenyl)azo-4-oxido-6-(3-sulfonatoanilino)naphthalene-2-sulfonate Formula: C44H22CrN8Na7O26S6 MolecularWeight: 1483.99797

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=CC3=C(C(=C(C=C3C=C2)S(=O)(=O)[O-])N=NC4=CC(=CC(=C4[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=CC3=C(C(=C(C=C3C=C2)S(=O)(=O)[O-])N=NC4=CC(=CC(=C4[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Cr+3]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=CC3=C(C(=C(C=C3C=C2)S(=O)(=O)[O-])N=NC4=CC(=CC(=C4[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=CC3=C(C(=C(C=C3C=C2)S(=O)(=O)[O-])N=NC4=CC(=CC(=C4[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Cr+3]

InChI

InChI=1S/2C22H16N4O13S3.Cr.7Na/c2*27-21-16-8-13(23-12-2-1-3-15(7-12)40(31,32)33)5-4-11(16)6-18(41(34,35)36)20(21)25-24-17-9-14(26(29)30)10-19(22(17)28)42(37,38)39;;;;;;;;/h2*1-10,23,27-28H,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;;;;;;/q;;+3;7*+1/p-10