trisodium; chromium(3+); 6-oxidanidyl-5-[(2-oxidanidylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate

Systemtic Name: trisodium; chromium(3+); 6-oxidanidyl-5-[(2-oxidanidylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate Openeye Name: chromic trisodium 6-oxido-5-[(2-oxido-1-naphthyl)azo]naphthalene-1-sulfonate CAS Name: trisodium; chromium(3+); 6-oxido-5-[(2-oxido-1-naphthalenyl)azo]-1-naphthalenesulfonate IUPAC Name: trisodium; chromium(3+); 6-oxido-5-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate Traditional Name: chromic trisodium 6-oxido-5-[(2-oxido-1-naphthyl)azo]naphthalene-1-sulfonate Formula: C40H22CrN4Na3O10S2 MolecularWeight: 903.71889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC4=C3C=CC=C4S(=O)(=O)[O-])[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC4=C3C=CC=C4S(=O)(=O)[O-])[O-])[O-].[Na+].[Na+].[Na+].[Cr+3]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC4=C3C=CC=C4S(=O)(=O)[O-])[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC4=C3C=CC=C4S(=O)(=O)[O-])[O-])[O-].[Na+].[Na+].[Na+].[Cr+3]

InChI

InChI=1S/2C20H14N2O5S.Cr.3Na/c2*23-16-10-8-12-4-1-2-5-13(12)19(16)21-22-20-15-6-3-7-18(28(25,26)27)14(15)9-11-17(20)24;;;;/h2*1-11,23-24H,(H,25,26,27);;;;/q;;+3;3*+1/p-6