zinc methoxy-[4-[15-(4-methoxycarbonylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate

Systemtic Name: zinc methoxy-[4-[15-(4-methoxycarbonylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Openeye Name: zinc methoxy-[4-[15-(4-methoxycarbonylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: zinc methoxy-[4-[15-(4-methoxycarbonylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-5-porphyrin-22-idylidene]-1-cyclohexa-2,5-dienylidene]methanolate IUPAC Name: zinc methoxy-[4-[15-(4-methoxycarbonylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]methanolate Traditional Name: zinc [4-[15-(4-carbomethoxyphenyl)-10,20-dimesityl-porphin-22-id-5-ylidene]cyclohexa-2,5-dien-1-ylidene]-methoxy-methanolate Formula: C54H44N4O4Zn MolecularWeight: 878.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=N3)C(=C4C=CC(=C([O-])OC)C=C4)C5=CC=C([N-]5)C(=C6C=CC(=N6)C(=C7C=CC2=N7)C8=CC=C(C=C8)C(=O)OC)C9=C(C=C(C=C9C)C)C)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=N3)C(=C4C=CC(=C([O-])OC)C=C4)C5=CC=C([N-]5)C(=C6C=CC(=N6)C(=C7C=CC2=N7)C8=CC=C(C=C8)C(=O)OC)C9=C(C=C(C=C9C)C)C)C.[Zn+2]

InChI

InChI=1S/C54H46N4O4.Zn/c1-29-25-31(3)47(32(4)26-29)51-43-21-17-39(55-43)49(35-9-13-37(14-10-35)53(59)61-7)41-19-23-45(57-41)52(48-33(5)27-30(2)28-34(48)6)46-24-20-42(58-46)50(40-18-22-44(51)56-40)36-11-15-38(16-12-36)54(60)62-8;/h9-28H,1-8H3,(H2,55,56,57,58,59,60);/q;+2/p-2