cobalt(2+); 2,3,7,8,12,13,17,18-octamethylporphyrin-21,22-diide

Systemtic Name: cobalt(2+); 2,3,7,8,12,13,17,18-octamethylporphyrin-21,22-diide Openeye Name: cobaltous 2,3,7,8,12,13,17,18-octamethylporphyrin-21,22-diide CAS Name: cobalt(2+); 2,3,7,8,12,13,17,18-octamethylporphyrin-21,22-diide IUPAC Name: cobalt(2+); 2,3,7,8,12,13,17,18-octamethylporphyrin-21,22-diide Traditional Name: cobaltous 2,3,7,8,12,13,17,18-octamethylporphine-21,22-diide Formula: C28H28CoN4 MolecularWeight: 479.48192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)C)C)C(=C4C)C)C(=C3C)C)C.[Co+2]

Isomeric SMILES

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)C)C)C(=C4C)C)C(=C3C)C)C.[Co+2]

InChI

InChI=1S/C28H28N4.Co/c1-13-14(2)22-10-24-17(5)18(6)26(31-24)12-28-20(8)19(7)27(32-28)11-25-16(4)15(3)23(30-25)9-21(13)29-22;/h9-12H,1-8H3;/q-2;+2