zinc [4-[15-(4-methanoylphenyl)-10,20-di(undecyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate

Systemtic Name: zinc [4-[15-(4-methanoylphenyl)-10,20-di(undecyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Openeye Name: zinc [4-[15-(4-formylphenyl)-10,20-di(undecyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: zinc [4-[15-(4-formylphenyl)-10,20-di(undecyl)-5-porphyrin-22-idylidene]-1-cyclohexa-2,5-dienylidene]methanolate IUPAC Name: zinc [4-[15-(4-formylphenyl)-10,20-di(undecyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Traditional Name: zinc [4-[15-(4-formylphenyl)-10,20-di(undecyl)porphin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Formula: C56H64N4O2Zn MolecularWeight: 890.54196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C[O-])C=C3)C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC1=N6)C7=CC=C(C=C7)C=O)CCCCCCCCCCC.[Zn+2]

Isomeric SMILES

CCCCCCCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C[O-])C=C3)C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC1=N6)C7=CC=C(C=C7)C=O)CCCCCCCCCCC.[Zn+2]

InChI

InChI=1S/C56H66N4O2.Zn/c1-3-5-7-9-11-13-15-17-19-21-45-47-31-35-51(57-47)55(43-27-23-41(39-61)24-28-43)53-37-33-49(59-53)46(22-20-18-16-14-12-10-8-6-4-2)50-34-38-54(60-50)56(52-36-32-48(45)58-52)44-29-25-42(40-62)26-30-44;/h23-40H,3-22H2,1-2H3,(H2,57,58,59,60,61,62);/q;+2/p-2