trisodium; chromium(3+); 7-nitro-3-oxidanidyl-4-[(2-oxidanidylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate

Systemtic Name: trisodium; chromium(3+); 7-nitro-3-oxidanidyl-4-[(2-oxidanidylnaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate Openeye Name: chromic trisodium 7-nitro-3-oxido-4-[(2-oxido-1-naphthyl)azo]naphthalene-1-sulfonate CAS Name: trisodium; chromium(3+); 7-nitro-3-oxido-4-[(2-oxido-1-naphthalenyl)azo]-1-naphthalenesulfonate IUPAC Name: trisodium; chromium(3+); 7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate Traditional Name: chromic trisodium 7-nitro-3-oxido-4-[(2-oxido-1-naphthyl)azo]naphthalene-1-sulfonate Formula: C40H20CrN6Na3O14S2 MolecularWeight: 993.71401

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].[Na+].[Na+].[Na+].[Cr+3]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].[Na+].[Na+].[Na+].[Cr+3]

InChI

InChI=1S/2C20H13N3O7S.Cr.3Na/c2*24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;;;;/h2*1-10,24-25H,(H,28,29,30);;;;/q;;+3;3*+1/p-6