potassium; cobalt(3+); (2S)-3-(1H-indol-3-yl)-2-[(2-oxidanidylphenyl)methylideneamino]propanoate

Systemtic Name: potassium; cobalt(3+); (2S)-3-(1H-indol-3-yl)-2-[(2-oxidanidylphenyl)methylideneamino]propanoate Openeye Name: cobaltic potassium (2S)-3-(1H-indol-3-yl)-2-[(2-oxidophenyl)methyleneamino]propanoate CAS Name: potassium; cobalt(3+); (2S)-3-(1H-indol-3-yl)-2-[(2-oxidophenyl)methylideneamino]propanoate IUPAC Name: potassium; cobalt(3+); (2S)-3-(1H-indol-3-yl)-2-[(2-oxidophenyl)methylideneamino]propanoate Traditional Name: cobaltic potassium (2S)-3-(1H-indol-3-yl)-2-[(2-oxidobenzylidene)amino]propionate Formula: C36H28CoKN4O6 MolecularWeight: 710.66222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NC(CC2=CNC3=CC=CC=C32)C(=O)[O-])[O-].C1=CC=C(C(=C1)C=NC(CC2=CNC3=CC=CC=C32)C(=O)[O-])[O-].[K+].[Co+3]

Isomeric SMILES

C1=CC=C(C(=C1)C=N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)[O-])[O-].C1=CC=C(C(=C1)C=N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)[O-])[O-].[K+].[Co+3]

InChI

InChI=1S/2C18H16N2O3.Co.K/c2*21-17-8-4-1-5-12(17)10-20-16(18(22)23)9-13-11-19-15-7-3-2-6-14(13)15;;/h2*1-8,10-11,16,19,21H,9H2,(H,22,23);;/q;;+3;+1/p-4/t2*16-;;/m00../s1