trisodium; chromium(3+); 5-[[4-[(4-nitro-2-sulfonato-phenyl)amino]phenyl]diazenyl]-2-oxidanidyl-benzoate

Systemtic Name: trisodium; chromium(3+); 5-[[4-[(4-nitro-2-sulfonato-phenyl)amino]phenyl]diazenyl]-2-oxidanidyl-benzoate Openeye Name: chromic trisodium 5-[4-(4-nitro-2-sulfonato-anilino)phenyl]azo-2-oxido-benzoate CAS Name: trisodium; chromium(3+); 5-[4-(4-nitro-2-sulfonatoanilino)phenyl]azo-2-oxidobenzoate IUPAC Name: trisodium; chromium(3+); 5-[[4-(4-nitro-2-sulfonatoanilino)phenyl]diazenyl]-2-oxidobenzoate Traditional Name: chromic trisodium 5-[4-(4-nitro-2-sulfonato-anilino)phenyl]azo-2-oxido-benzoate Formula: C38H22CrN8Na3O16S2 MolecularWeight: 1031.72069

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])N=NC3=CC(=C(C=C3)[O-])C(=O)[O-].C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])N=NC3=CC(=C(C=C3)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Cr+3]

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])N=NC3=CC(=C(C=C3)[O-])C(=O)[O-].C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])N=NC3=CC(=C(C=C3)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Cr+3]

InChI

InChI=1S/2C19H14N4O8S.Cr.3Na/c2*24-17-8-5-13(9-15(17)19(25)26)22-21-12-3-1-11(2-4-12)20-16-7-6-14(23(27)28)10-18(16)32(29,30)31;;;;/h2*1-10,20,24H,(H,25,26)(H,29,30,31);;;;/q;;+3;3*+1/p-6