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

Systemtic Name: zinc methoxy-[4-[15-(4-methoxycarbonylphenyl)-10,20-di(undecyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Openeye Name: zinc methoxy-[4-[15-(4-methoxycarbonylphenyl)-10,20-di(undecyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: zinc methoxy-[4-[15-(4-methoxycarbonylphenyl)-10,20-di(undecyl)-5-porphyrin-22-idylidene]-1-cyclohexa-2,5-dienylidene]methanolate IUPAC Name: zinc methoxy-[4-[15-(4-methoxycarbonylphenyl)-10,20-di(undecyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Traditional Name: zinc [4-[15-(4-carbomethoxyphenyl)-10,20-di(undecyl)porphin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]-methoxy-methanolate Formula: C58H68N4O4Zn MolecularWeight: 950.59392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H70N4O4.Zn/c1-5-7-9-11-13-15-17-19-21-23-45-47-33-37-51(59-47)55(41-25-29-43(30-26-41)57(63)65-3)53-39-35-49(61-53)46(24-22-20-18-16-14-12-10-8-6-2)50-36-40-54(62-50)56(52-38-34-48(45)60-52)42-27-31-44(32-28-42)58(64)66-4;/h25-40H,5-24H2,1-4H3,(H2,59,60,61,62,63,64);/q;+2/p-2