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

Systemtic Name: zinc [4-[10-[4-(hydroxymethyl)phenyl]-15,20-di(undecyl)porphyrin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Openeye Name: zinc [4-[10-[4-(hydroxymethyl)phenyl]-15,20-di(undecyl)porphyrin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: zinc [4-[10-[4-(hydroxymethyl)phenyl]-15,20-di(undecyl)-5-porphyrin-24-idylidene]-1-cyclohexa-2,5-dienylidene]methanolate IUPAC Name: zinc [4-[10-[4-(hydroxymethyl)phenyl]-15,20-di(undecyl)porphyrin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Traditional Name: zinc [4-[10-(4-methylolphenyl)-15,20-di(undecyl)porphin-24-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Formula: C56H66N4O2Zn MolecularWeight: 892.55784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C56H67N4O2.Zn/c1-3-5-7-9-11-13-15-17-19-21-45-47-31-32-48(57-47)46(22-20-18-16-14-12-10-8-6-4-2)50-34-36-52(59-50)56(44-29-25-42(40-62)26-30-44)54-38-37-53(60-54)55(51-35-33-49(45)58-51)43-27-23-41(39-61)24-28-43;/h23-39,62H,3-22,40H2,1-2H3,(H-,57,58,59,60,61);/q-1;+2/p-1