sodium; 5-tert-butyl-2-oxidanidyl-benzoate; chromium(3+); 2-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]benzoate

Systemtic Name: sodium; 5-tert-butyl-2-oxidanidyl-benzoate; chromium(3+); 2-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]benzoate Openeye Name: chromic; sodium; 5-tert-butyl-2-oxido-benzoate; 2-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azobenzoate CAS Name: sodium; 5-tert-butyl-2-oxidobenzoate; chromium(3+); 2-[(3-methyl-5-oxido-1-phenyl-4-pyrazolyl)azo]benzoate IUPAC Name: sodium; 5-tert-butyl-2-oxidobenzoate; chromium(3+); 2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate Traditional Name: chromic; sodium; 5-tert-butyl-2-oxido-benzoate; 2-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azobenzoate Formula: C28H24CrN4NaO6 MolecularWeight: 587.49923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.CC(C)(C)C1=CC(=C(C=C1)[O-])C(=O)[O-].[Na+].[Cr+3]

Isomeric SMILES

CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.CC(C)(C)C1=CC(=C(C=C1)[O-])C(=O)[O-].[Na+].[Cr+3]

InChI

InChI=1S/C17H14N4O3.C11H14O3.Cr.Na/c1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24;1-11(2,3)7-4-5-9(12)8(6-7)10(13)14;;/h2-10,22H,1H3,(H,23,24);4-6,12H,1-3H3,(H,13,14);;/q;;+3;+1/p-4