zinc 4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)cyclohexa-3,5-diene-1,2-dione

Systemtic Name: zinc 4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)cyclohexa-3,5-diene-1,2-dione Openeye Name: zinc 4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)-1,2-benzoquinone CAS Name: zinc 4-(10,15,20-triphenyl-5-porphyrin-22,24-diidyl)cyclohexa-3,5-diene-1,2-dione IUPAC Name: zinc 4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)cyclohexa-3,5-diene-1,2-dione Traditional Name: zinc 4-(10,15,20-triphenylporphine-22,24-diid-5-yl)-o-benzoquinone Formula: C44H26N4O2Zn MolecularWeight: 708.11184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC(=O)C(=O)C=C8)C=C4)C9=CC=CC=C9)[N-]3.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC(=O)C(=O)C=C8)C=C4)C9=CC=CC=C9)[N-]3.[Zn+2]

InChI

InChI=1S/C44H28N4O2.Zn/c49-39-25-16-30(26-40(39)50)44-37-23-21-35(47-37)42(28-12-6-2-7-13-28)33-19-17-31(45-33)41(27-10-4-1-5-11-27)32-18-20-34(46-32)43(29-14-8-3-9-15-29)36-22-24-38(44)48-36;/h1-26H,(H2,45,46,47,48,49,50);/q;+2/p-2