zinc N-tert-butyl-N-$l^{1}-oxidanyl-4-[(E)-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]ethenyl]aniline

Systemtic Name: zinc N-tert-butyl-N-$l^{1}-oxidanyl-4-[(E)-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]ethenyl]aniline Openeye Name: zinc N-tert-butyl-N-$l^{1}-oxidanyl-4-[(E)-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]vinyl]aniline CAS Name: zinc N-tert-butyl-N-$l^{1}-oxidanyl-4-[(E)-2-[10,15,20-tris(2,4,6-trimethylphenyl)-5-porphyrin-22,24-diidyl]ethenyl]aniline IUPAC Name: zinc N-tert-butyl-N-$l^{1}-oxidanyl-4-[(E)-2-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]ethenyl]aniline Traditional Name: zinc tert-butyl-$l^{1}-oxidanyl-[4-[(E)-2-(10,15,20-trimesitylporphine-22,24-diid-5-yl)vinyl]phenyl]amine Formula: C59H56N5OZn MolecularWeight: 916.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C=CC7=CC=C(C=C7)N(C(C)(C)C)[O])C8=C(C=C(C=C8C)C)C)C=C4)C9=C(C=C(C=C9C)C)C)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)/C=C/C7=CC=C(C=C7)N(C(C)(C)C)[O])C8=C(C=C(C=C8C)C)C)C=C4)C9=C(C=C(C=C9C)C)C)[N-]3)C.[Zn+2]

InChI

InChI=1S/C59H56N5O.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;/h13-32H,1-12H3;/q-2;+2/b18-15+,45-44?,46-44?,56-47?,56-49?,57-48?,57-50?,58-51?,58-52?;