zinc 3-methyl-6-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)cyclohexa-3,5-diene-1,2-dione

Systemtic Name: zinc 3-methyl-6-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)cyclohexa-3,5-diene-1,2-dione Openeye Name: zinc 3-methyl-6-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)-1,2-benzoquinone CAS Name: zinc 3-methyl-6-(10,15,20-triphenyl-5-porphyrin-22,24-diidyl)cyclohexa-3,5-diene-1,2-dione IUPAC Name: zinc 3-methyl-6-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)cyclohexa-3,5-diene-1,2-dione Traditional Name: zinc 3-methyl-6-(10,15,20-triphenylporphine-22,24-diid-5-yl)-o-benzoquinone Formula: C45H28N4O2Zn MolecularWeight: 722.13842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)C1=O)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)[N-]4)C9=CC=CC=C9.[Zn+2]

Isomeric SMILES

CC1=CC=C(C(=O)C1=O)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)[N-]4)C9=CC=CC=C9.[Zn+2]

InChI

InChI=1S/C45H30N4O2.Zn/c1-27-17-18-31(45(51)44(27)50)43-38-25-23-36(48-38)41(29-13-7-3-8-14-29)34-21-19-32(46-34)40(28-11-5-2-6-12-28)33-20-22-35(47-33)42(30-15-9-4-10-16-30)37-24-26-39(43)49-37;/h2-26H,1H3,(H2,46,47,48,49,50,51);/q;+2/p-2