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

Systemtic Name: chromium(3+); 3-(2-ethylhexoxy)propan-1-amine; hydron; 2-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]benzoate Openeye Name: chromic; 3-(2-ethylhexoxy)propan-1-amine; hydron; 2-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azobenzoate CAS Name: chromium(3+); 3-(2-ethylhexoxy)-1-propanamine; hydron; 2-[(3-methyl-5-oxido-1-phenyl-4-pyrazolyl)azo]benzoate IUPAC Name: chromium(3+); 3-(2-ethylhexoxy)propan-1-amine; hydron; 2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate Traditional Name: chromic; 3-(2-ethylhexoxy)propylamine; hydron; 2-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azobenzoate Formula: C45H50CrN9O7 MolecularWeight: 880.9307

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCCCC(CC)COCCCN.CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.[Cr+3]

Isomeric SMILES

[H+].CCCCC(CC)COCCCN.CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.[Cr+3]

InChI

InChI=1S/2C17H14N4O3.C11H25NO.Cr/c2*1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24;1-3-5-7-11(4-2)10-13-9-6-8-12;/h2*2-10,22H,1H3,(H,23,24);11H,3-10,12H2,1-2H3;/q;;;+3/p-3