(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoate; chromium(3+); pyridine-2-carboxylate

Systemtic Name: (2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoate; chromium(3+); pyridine-2-carboxylate Openeye Name: dichromic; (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate; pyridine-2-carboxylate CAS Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate; chromium(3+); 2-pyridinecarboxylate IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate; chromium(3+); pyridine-2-carboxylate Traditional Name: dichromic; (2S)-2-amino-3-(1H-imidazol-5-yl)propionate; picolinate Formula: C36H36Cr2N12O12 MolecularWeight: 932.73644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].C1=C(NC=N1)CC(C(=O)[O-])N.C1=C(NC=N1)CC(C(=O)[O-])N.C1=C(NC=N1)CC(C(=O)[O-])N.[Cr+3].[Cr+3]

Isomeric SMILES

C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].C1=CC=NC(=C1)C(=O)[O-].C1=C(NC=N1)C[C@@H](C(=O)[O-])N.C1=C(NC=N1)C[C@@H](C(=O)[O-])N.C1=C(NC=N1)C[C@@H](C(=O)[O-])N.[Cr+3].[Cr+3]

InChI

InChI=1S/3C6H9N3O2.3C6H5NO2.2Cr/c3*7-5(6(10)11)1-4-2-8-3-9-4;3*8-6(9)5-3-1-2-4-7-5;;/h3*2-3,5H,1,7H2,(H,8,9)(H,10,11);3*1-4H,(H,8,9);;/q;;;;;;2*+3/p-6/t3*5-;;;;;/m000...../s1