zinc 5,10,15,20-tetrakis[2,6-bis(chloranyl)phenyl]-2,3,7,8,12,13,17,18-octakis(bromanyl)porphyrin-21,22-diide

Systemtic Name: zinc 5,10,15,20-tetrakis[2,6-bis(chloranyl)phenyl]-2,3,7,8,12,13,17,18-octakis(bromanyl)porphyrin-21,22-diide Openeye Name: zinc 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin-21,22-diide CAS Name: zinc 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin-21,22-diide IUPAC Name: zinc 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin-21,22-diide Traditional Name: zinc 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(2,6-dichlorophenyl)porphine-21,22-diide Formula: C44H12Br8Cl8N4Zn MolecularWeight: 1584.85788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C2=C3C(=C(C(=C(C4=NC(=C(C5=NC(=C(C6=C(C(=C2[N-]6)Br)Br)C7=C(C=CC=C7Cl)Cl)C(=C5Br)Br)C8=C(C=CC=C8Cl)Cl)C(=C4Br)Br)C9=C(C=CC=C9Cl)Cl)[N-]3)Br)Br)Cl.[Zn+2]

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C2=C3C(=C(C(=C(C4=NC(=C(C5=NC(=C(C6=C(C(=C2[N-]6)Br)Br)C7=C(C=CC=C7Cl)Cl)C(=C5Br)Br)C8=C(C=CC=C8Cl)Cl)C(=C4Br)Br)C9=C(C=CC=C9Cl)Cl)[N-]3)Br)Br)Cl.[Zn+2]

InChI

InChI=1S/C44H12Br8Cl8N4.Zn/c45-29-31(47)39-26(22-15(55)7-2-8-16(22)56)41-33(49)35(51)43(63-41)28(24-19(59)11-4-12-20(24)60)44-36(52)34(50)42(64-44)27(23-17(57)9-3-10-18(23)58)40-32(48)30(46)38(62-40)25(37(29)61-39)21-13(53)5-1-6-14(21)54;/h1-12H;/q-2;+2