zinc 2,3-bis(bromanyl)-5-(trifluoromethyl)-6-[4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]cyclohexyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: zinc 2,3-bis(bromanyl)-5-(trifluoromethyl)-6-[4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]cyclohexyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: zinc 2,3-dibromo-5-(trifluoromethyl)-6-[4-[10,15,20-tris(p-tolyl)porphyrin-22,24-diid-5-yl]cyclohexyl]-1,4-benzoquinone CAS Name: zinc 2,3-dibromo-5-(trifluoromethyl)-6-[4-[10,15,20-tris(4-methylphenyl)-5-porphyrin-22,24-diidyl]cyclohexyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: zinc 2,3-dibromo-5-(trifluoromethyl)-6-[4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]cyclohexyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: zinc 2,3-dibromo-5-(trifluoromethyl)-6-[4-[10,15,20-tris(p-tolyl)porphine-22,24-diid-5-yl]cyclohexyl]-p-benzoquinone Formula: C54H39Br2F3N4O2Zn MolecularWeight: 1058.12527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7CCC(CC7)C8=C(C(=O)C(=C(C8=O)Br)Br)C(F)(F)F)C9=CC=C(C=C9)C)C=C4)C1=CC=C(C=C1)C)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7CCC(CC7)C8=C(C(=O)C(=C(C8=O)Br)Br)C(F)(F)F)C9=CC=C(C=C9)C)C=C4)C1=CC=C(C=C1)C)[N-]3.[Zn+2]

InChI

InChI=1S/C54H39Br2F3N4O2.Zn/c1-28-4-10-31(11-5-28)44-36-20-22-38(60-36)45(32-12-6-29(2)7-13-32)40-24-26-42(62-40)47(34-16-18-35(19-17-34)48-49(54(57,58)59)53(65)51(56)50(55)52(48)64)43-27-25-41(63-43)46(39-23-21-37(44)61-39)33-14-8-30(3)9-15-33;/h4-15,20-27,34-35H,16-19H2,1-3H3;/q-2;+2