cobalt(2+); methoxy-[4-[10,15,20-tris(4-methoxycarbonylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate

Systemtic Name: cobalt(2+); methoxy-[4-[10,15,20-tris(4-methoxycarbonylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Openeye Name: cobaltous methoxy-[4-[10,15,20-tris(4-methoxycarbonylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: cobalt(2+); methoxy-[4-[10,15,20-tris(4-methoxycarbonylphenyl)-5-porphyrin-22-idylidene]-1-cyclohexa-2,5-dienylidene]methanolate IUPAC Name: cobalt(2+); methoxy-[4-[10,15,20-tris(4-methoxycarbonylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Traditional Name: cobaltous methoxy-[4-[10,15,20-tris(4-carbomethoxyphenyl)porphin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Formula: C52H36CoN4O8 MolecularWeight: 903.79744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)C(=O)OC)C=C5)C8=CC=C(C=C8)C(=O)OC)C=C4)C9=CC=C(C=C9)C(=O)OC)C=C3)C=C1)[O-].[Co+2]

Isomeric SMILES

COC(=C1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)C(=O)OC)C=C5)C8=CC=C(C=C8)C(=O)OC)C=C4)C9=CC=C(C=C9)C(=O)OC)C=C3)C=C1)[O-].[Co+2]

InChI

InChI=1S/C52H38N4O8.Co/c1-61-49(57)33-13-5-29(6-14-33)45-37-21-23-39(53-37)46(30-7-15-34(16-8-30)50(58)62-2)41-25-27-43(55-41)48(32-11-19-36(20-12-32)52(60)64-4)44-28-26-42(56-44)47(40-24-22-38(45)54-40)31-9-17-35(18-10-31)51(59)63-3;/h5-28H,1-4H3,(H2,53,54,55,56,57,58,59,60);/q;+2/p-2