zinc N-tert-butyl-N-$l^{1}-oxidanyl-4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]aniline

Systemtic Name: zinc N-tert-butyl-N-$l^{1}-oxidanyl-4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]aniline Openeye Name: zinc N-tert-butyl-N-$l^{1}-oxidanyl-4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]aniline CAS Name: zinc N-tert-butyl-N-$l^{1}-oxidanyl-4-[10,15,20-tris(2,4,6-trimethylphenyl)-5-porphyrin-23,24-diidyl]aniline IUPAC Name: zinc N-tert-butyl-N-$l^{1}-oxidanyl-4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]aniline Traditional Name: zinc tert-butyl-$l^{1}-oxidanyl-[4-(10,15,20-trimesitylporphine-23,24-diid-5-yl)phenyl]amine Formula: C57H54N5OZn MolecularWeight: 890.48056

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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=CC=C(C=C7)N(C(C)(C)C)[O])C8=C(C=C(C=C8C)C)C)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=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)N(C(C)(C)C)[O])C8=C(C=C(C=C8C)C)C)C9=C(C=C(C=C9C)C)C)[N-]3)C.[Zn+2]

InChI

InChI=1S/C57H54N5O.Zn/c1-31-25-34(4)50(35(5)26-31)54-44-19-17-42(58-44)53(40-13-15-41(16-14-40)62(63)57(10,11)12)43-18-20-45(59-43)55(51-36(6)27-32(2)28-37(51)7)47-22-24-49(61-47)56(48-23-21-46(54)60-48)52-38(8)29-33(3)30-39(52)9;/h13-30H,1-12H3;/q-2;+2