ethylbenzene; rhodium(3+); 5,10,15,20-tetrakis(4-tert-butylphenyl)-2,3,7,8,12,13,17,18-octakis(chloranyl)porphyrin-21,22-diide

Systemtic Name: ethylbenzene; rhodium(3+); 5,10,15,20-tetrakis(4-tert-butylphenyl)-2,3,7,8,12,13,17,18-octakis(chloranyl)porphyrin-21,22-diide Openeye Name: ethylbenzene; rhodium(3+); 5,10,15,20-tetrakis(4-tert-butylphenyl)-2,3,7,8,12,13,17,18-octachloro-porphyrin-21,22-diide CAS Name: ethylbenzene; rhodium(3+); 5,10,15,20-tetrakis(4-tert-butylphenyl)-2,3,7,8,12,13,17,18-octachloroporphyrin-21,22-diide IUPAC Name: ethylbenzene; rhodium(3+); 5,10,15,20-tetrakis(4-tert-butylphenyl)-2,3,7,8,12,13,17,18-octachloroporphyrin-21,22-diide Traditional Name: ethylbenzene; rhodium(3+); 5,10,15,20-tetrakis(4-tert-butylphenyl)-2,3,7,8,12,13,17,18-octachloro-porphine-21,22-diide Formula: C68H61Cl8N4Rh MolecularWeight: 1320.76824

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Descriptors Computed from Structure

Canonical SMILES:

C[CH-]C1=CC=CC=C1.CC(C)(C)C1=CC=C(C=C1)C2=C3C(=C(C(=C(C4=NC(=C(C5=NC(=C(C6=C(C(=C2[N-]6)Cl)Cl)C7=CC=C(C=C7)C(C)(C)C)C(=C5Cl)Cl)C8=CC=C(C=C8)C(C)(C)C)C(=C4Cl)Cl)C9=CC=C(C=C9)C(C)(C)C)[N-]3)Cl)Cl.[Rh+3]

Isomeric SMILES

C[CH-]C1=CC=CC=C1.CC(C)(C)C1=CC=C(C=C1)C2=C3C(=C(C(=C(C4=NC(=C(C5=NC(=C(C6=C(C(=C2[N-]6)Cl)Cl)C7=CC=C(C=C7)C(C)(C)C)C(=C5Cl)Cl)C8=CC=C(C=C8)C(C)(C)C)C(=C4Cl)Cl)C9=CC=C(C=C9)C(C)(C)C)[N-]3)Cl)Cl.[Rh+3]

InChI

InChI=1S/C60H52Cl8N4.C8H9.Rh/c1-57(2,3)33-21-13-29(14-22-33)37-49-41(61)43(63)51(69-49)38(30-15-23-34(24-16-30)58(4,5)6)53-45(65)47(67)55(71-53)40(32-19-27-36(28-20-32)60(10,11)12)56-48(68)46(66)54(72-56)39(52-44(64)42(62)50(37)70-52)31-17-25-35(26-18-31)59(7,8)9;1-2-8-6-4-3-5-7-8;/h13-28H,1-12H3;2-7H,1H3;/q-2;-1;+3