zinc methoxy-[4-[10-(4-methoxycarbonylphenyl)-15,20-di(undecyl)porphyrin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate

Systemtic Name: zinc methoxy-[4-[10-(4-methoxycarbonylphenyl)-15,20-di(undecyl)porphyrin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Openeye Name: zinc methoxy-[4-[10-(4-methoxycarbonylphenyl)-15,20-di(undecyl)porphyrin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: zinc methoxy-[4-[10-(4-methoxycarbonylphenyl)-15,20-di(undecyl)-5-porphyrin-24-idylidene]-1-cyclohexa-2,5-dienylidene]methanolate IUPAC Name: zinc methoxy-[4-[10-(4-methoxycarbonylphenyl)-15,20-di(undecyl)porphyrin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Traditional Name: zinc [4-[10-(4-carbomethoxyphenyl)-15,20-di(undecyl)porphin-24-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=NC(=C(C5=NC(=C(C6=CC=C1[N-]6)CCCCCCCCCCC)C=C5)C7=CC=C(C=C7)C(=O)OC)C=C4.[Zn+2]

Isomeric SMILES

CCCCCCCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C([O-])OC)C=C3)C4=NC(=C(C5=NC(=C(C6=CC=C1[N-]6)CCCCCCCCCCC)C=C5)C7=CC=C(C=C7)C(=O)OC)C=C4.[Zn+2]

InChI

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