zinc butoxy-[4-[10,15,20-tris(4-butoxycarbonylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate

Systemtic Name: zinc butoxy-[4-[10,15,20-tris(4-butoxycarbonylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Openeye Name: zinc butoxy-[4-[10,15,20-tris(4-butoxycarbonylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: zinc butoxy-[4-[10,15,20-tris[4-[butoxy(oxo)methyl]phenyl]-5-porphyrin-22-idylidene]-1-cyclohexa-2,5-dienylidene]methanolate IUPAC Name: zinc butoxy-[4-[10,15,20-tris(4-butoxycarbonylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Traditional Name: zinc butoxy-[4-[10,15,20-tris(4-butoxycarbonylphenyl)porphin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Formula: C64H60N4O8Zn MolecularWeight: 1078.5922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=C1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)C(=O)OCCCC)C=C5)C8=CC=C(C=C8)C(=O)OCCCC)C=C4)C9=CC=C(C=C9)C(=O)OCCCC)C=C3)C=C1)[O-].[Zn+2]

Isomeric SMILES

CCCCOC(=C1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)C(=O)OCCCC)C=C5)C8=CC=C(C=C8)C(=O)OCCCC)C=C4)C9=CC=C(C=C9)C(=O)OCCCC)C=C3)C=C1)[O-].[Zn+2]

InChI

InChI=1S/C64H62N4O8.Zn/c1-5-9-37-73-61(69)45-21-13-41(14-22-45)57-49-29-31-51(65-49)58(42-15-23-46(24-16-42)62(70)74-38-10-6-2)53-33-35-55(67-53)60(44-19-27-48(28-20-44)64(72)76-40-12-8-4)56-36-34-54(68-56)59(52-32-30-50(57)66-52)43-17-25-47(26-18-43)63(71)75-39-11-7-3;/h13-36H,5-12,37-40H2,1-4H3,(H2,65,66,67,68,69,70,71,72);/q;+2/p-2