zinc N-tert-butyl-N-$l^{1}-oxidanyl-4-[2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-21,22-diid-5-yl]ethynyl]aniline

Systemtic Name: zinc N-tert-butyl-N-$l^{1}-oxidanyl-4-[2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-21,22-diid-5-yl]ethynyl]aniline Openeye Name: zinc N-tert-butyl-N-$l^{1}-oxidanyl-4-[2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-21,22-diid-5-yl]ethynyl]aniline CAS Name: zinc N-tert-butyl-N-$l^{1}-oxidanyl-4-[2-[10,15,20-tris(2,4,6-trimethylphenyl)-5-porphyrin-21,22-diidyl]ethynyl]aniline IUPAC Name: zinc N-tert-butyl-N-$l^{1}-oxidanyl-4-[2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-21,22-diid-5-yl]ethynyl]aniline Traditional Name: zinc tert-butyl-$l^{1}-oxidanyl-[4-[2-(10,15,20-trimesitylporphine-21,22-diid-5-yl)ethynyl]phenyl]amine Formula: C59H54N5OZn MolecularWeight: 914.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)C#CC9=CC=C(C=C9)N(C(C)(C)C)[O])[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)C#CC9=CC=C(C=C9)N(C(C)(C)C)[O])[N-]3)C.[Zn+2]

InChI

InChI=1S/C59H54N5O.Zn/c1-33-27-36(4)53(37(5)28-33)56-47-21-19-45(60-47)44(18-15-42-13-16-43(17-14-42)64(65)59(10,11)12)46-20-22-48(61-46)57(54-38(6)29-34(2)30-39(54)7)50-24-26-52(63-50)58(51-25-23-49(56)62-51)55-40(8)31-35(3)32-41(55)9;/h13-14,16-17,19-32H,1-12H3;/q-2;+2