cobalt(2+); 5,10,15-tris(1-ethylpyridin-1-ium-4-yl)-20-(1-ethylpyridin-4-ylidene)porphyrin-22-ide; tetraperchlorate

Systemtic Name: cobalt(2+); 5,10,15-tris(1-ethylpyridin-1-ium-4-yl)-20-(1-ethylpyridin-4-ylidene)porphyrin-22-ide; tetraperchlorate Openeye Name: cobaltous 5,10,15-tris(1-ethylpyridin-1-ium-4-yl)-20-(1-ethyl-4-pyridylidene)porphyrin-22-ide tetraperchlorate CAS Name: cobalt(2+); 5,10,15-tris(1-ethyl-4-pyridin-1-iumyl)-20-(1-ethyl-4-pyridinylidene)porphyrin-22-ide; tetraperchlorate IUPAC Name: cobalt(2+); 5,10,15-tris(1-ethylpyridin-1-ium-4-yl)-20-(1-ethylpyridin-4-ylidene)porphyrin-22-ide; tetraperchlorate Traditional Name: cobaltous 5,10,15-tris(1-ethylpyridin-1-ium-4-yl)-20-(1-ethyl-4-pyridylidene)porphin-22-ide tetraperchlorate Formula: C48H44Cl4CoN8O16 MolecularWeight: 1189.65216

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)CC)C8=CC=[N+](C=C8)CC)C=C4)C9=CC=[N+](C=C9)CC)C=C3)C=C1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Co+2]

Isomeric SMILES

CCN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)CC)C8=CC=[N+](C=C8)CC)C=C4)C9=CC=[N+](C=C9)CC)C=C3)C=C1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Co+2]

InChI

InChI=1S/C48H44N8.4ClHO4.Co/c1-5-53-25-17-33(18-26-53)45-37-9-11-39(49-37)46(34-19-27-54(6-2)28-20-34)41-13-15-43(51-41)48(36-23-31-56(8-4)32-24-36)44-16-14-42(52-44)47(40-12-10-38(45)50-40)35-21-29-55(7-3)30-22-35;4*2-1(3,4)5;/h9-32H,5-8H2,1-4H3;4*(H,2,3,4,5);/q+2;;;;;+2/p-4