zinc 5,15-bis(4-ethynyl-2,6-dimethyl-phenyl)-10,20-bis(trifluoromethyl)porphyrin-21,22-diide

Systemtic Name: zinc 5,15-bis(4-ethynyl-2,6-dimethyl-phenyl)-10,20-bis(trifluoromethyl)porphyrin-21,22-diide Openeye Name: zinc 5,15-bis(4-ethynyl-2,6-dimethyl-phenyl)-10,20-bis(trifluoromethyl)porphyrin-21,22-diide CAS Name: zinc 5,15-bis(4-ethynyl-2,6-dimethylphenyl)-10,20-bis(trifluoromethyl)porphyrin-21,22-diide IUPAC Name: zinc 5,15-bis(4-ethynyl-2,6-dimethylphenyl)-10,20-bis(trifluoromethyl)porphyrin-21,22-diide Traditional Name: zinc 5,15-bis(4-ethynyl-2,6-dimethyl-phenyl)-10,20-bis(trifluoromethyl)porphine-21,22-diide Formula: C42H26F6N4Zn MolecularWeight: 766.082059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C(F)(F)F)C=C5)C7=C(C=C(C=C7C)C#C)C)C=C4)C(F)(F)F)[N-]3)C)C#C.[Zn+2]

Isomeric SMILES

CC1=CC(=CC(=C1C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C(F)(F)F)C=C5)C7=C(C=C(C=C7C)C#C)C)C=C4)C(F)(F)F)[N-]3)C)C#C.[Zn+2]

InChI

InChI=1S/C42H26F6N4.Zn/c1-7-25-17-21(3)35(22(4)18-25)37-27-9-13-31(49-27)39(41(43,44)45)33-15-11-29(51-33)38(36-23(5)19-26(8-2)20-24(36)6)30-12-16-34(52-30)40(42(46,47)48)32-14-10-28(37)50-32;/h1-2,9-20H,3-6H3;/q-2;+2