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

Systemtic Name: chromium(3+); hydron; 2-[(3-methyl-5-oxidanidyl-1-phenyl-pyrazol-4-yl)diazenyl]benzoate; tridecan-1-amine Openeye Name: chromic; hydron; 2-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azobenzoate; tridecan-1-amine CAS Name: chromium(3+); hydron; 2-[(3-methyl-5-oxido-1-phenyl-4-pyrazolyl)azo]benzoate; 1-tridecanamine IUPAC Name: chromium(3+); hydron; 2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate; tridecan-1-amine Traditional Name: chromic; hydron; 2-(3-methyl-5-oxido-1-phenyl-pyrazol-4-yl)azobenzoate; tridecylamine Formula: C47H54CrN9O6 MolecularWeight: 892.98446

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCCCCCCCCCCCCN.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+].CCCCCCCCCCCCCN.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.C13H29N.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;1-2-3-4-5-6-7-8-9-10-11-12-13-14;/h2*2-10,22H,1H3,(H,23,24);2-14H2,1H3;/q;;;+3/p-3