zinc ethoxy-[4-[4-[10,15,20-tris(3,5-ditert-butylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate

Systemtic Name: zinc ethoxy-[4-[4-[10,15,20-tris(3,5-ditert-butylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Openeye Name: zinc ethoxy-[4-[4-[10,15,20-tris(3,5-ditert-butylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: zinc ethoxy-[4-[4-[10,15,20-tris(3,5-ditert-butylphenyl)-5-porphyrin-22-idylidene]-1-cyclohexa-2,5-dienylidene]-1-cyclohexa-2,5-dienylidene]methanolate IUPAC Name: zinc ethoxy-[4-[4-[10,15,20-tris(3,5-ditert-butylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Traditional Name: zinc ethoxy-[4-[4-[10,15,20-tris(3,5-ditert-butylphenyl)porphin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Formula: C77H84N4O2Zn MolecularWeight: 1162.92546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C=CC(=C2C=CC(=C3C4=NC(=C(C5=NC(=C(C6=NC(=C(C7=CC=C3[N-]7)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C=C6)C9=CC(=CC(=C9)C(C)(C)C)C(C)(C)C)C=C5)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C=C4)C=C2)C=C1)[O-].[Zn+2]

Isomeric SMILES

CCOC(=C1C=CC(=C2C=CC(=C3C4=NC(=C(C5=NC(=C(C6=NC(=C(C7=CC=C3[N-]7)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C=C6)C9=CC(=CC(=C9)C(C)(C)C)C(C)(C)C)C=C5)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C=C4)C=C2)C=C1)[O-].[Zn+2]

InChI

InChI=1S/C77H85N4O2.Zn/c1-20-83-71(82)49-27-23-47(24-28-49)46-21-25-48(26-22-46)67-59-29-31-61(78-59)68(50-37-53(72(2,3)4)43-54(38-50)73(5,6)7)63-33-35-65(80-63)70(52-41-57(76(14,15)16)45-58(42-52)77(17,18)19)66-36-34-64(81-66)69(62-32-30-60(67)79-62)51-39-55(74(8,9)10)44-56(40-51)75(11,12)13;/h21-45H,20H2,1-19H3,(H-,78,79,80,81,82);/q-1;+2/p-1