chromium(3+); 2-[[1-(2-ethylphenyl)-3-methyl-5-oxidanidyl-pyrazol-4-yl]diazenyl]benzoate; hydron

Systemtic Name: chromium(3+); 2-[[1-(2-ethylphenyl)-3-methyl-5-oxidanidyl-pyrazol-4-yl]diazenyl]benzoate; hydron Openeye Name: chromic; 2-[1-(2-ethylphenyl)-3-methyl-5-oxido-pyrazol-4-yl]azobenzoate; hydron CAS Name: chromium(3+); 2-[[1-(2-ethylphenyl)-3-methyl-5-oxido-4-pyrazolyl]azo]benzoate; hydron IUPAC Name: chromium(3+); 2-[[1-(2-ethylphenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]benzoate; hydron Traditional Name: chromic; 2-[1-(2-ethylphenyl)-3-methyl-5-oxido-pyrazol-4-yl]azobenzoate; hydron Formula: C38H33CrN8O6 MolecularWeight: 749.71472

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCC1=CC=CC=C1N2C(=C(C(=N2)C)N=NC3=CC=CC=C3C(=O)[O-])[O-].CCC1=CC=CC=C1N2C(=C(C(=N2)C)N=NC3=CC=CC=C3C(=O)[O-])[O-].[Cr+3]

Isomeric SMILES

[H+].CCC1=CC=CC=C1N2C(=C(C(=N2)C)N=NC3=CC=CC=C3C(=O)[O-])[O-].CCC1=CC=CC=C1N2C(=C(C(=N2)C)N=NC3=CC=CC=C3C(=O)[O-])[O-].[Cr+3]

InChI

InChI=1S/2C19H18N4O3.Cr/c2*1-3-13-8-4-7-11-16(13)23-18(24)17(12(2)22-23)21-20-15-10-6-5-9-14(15)19(25)26;/h2*4-11,24H,3H2,1-2H3,(H,25,26);/q;;+3/p-3