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

Systemtic Name: zinc 2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)cyclohexa-2,5-diene-1,4-dione Openeye Name: zinc 2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)-1,4-benzoquinone CAS Name: zinc 2-(10,15,20-triphenyl-5-porphyrin-22,24-diidyl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: zinc 2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)cyclohexa-2,5-diene-1,4-dione Traditional Name: zinc 2-(10,15,20-triphenylporphine-22,24-diid-5-yl)-p-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=CC8=O)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=CC8=O)C=C4)C9=CC=CC=C9)[N-]3.[Zn+2]

InChI

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