zinc 5,10,15,20-tetrakis[2,6-bis(chloranyl)phenyl]-2,3,7,8,12,13,17,18-octakis(chloranyl)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(chloranyl)porphyrin-21,22-diide Openeye Name: zinc 2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin-21,22-diide CAS Name: zinc 2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin-21,22-diide IUPAC Name: zinc 2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin-21,22-diide Traditional Name: zinc 2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetrakis(2,6-dichlorophenyl)porphine-21,22-diide Formula: C44H12Cl16N4Zn MolecularWeight: 1229.24988

Click to see the large picture

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)Cl)Cl)C7=C(C=CC=C7Cl)Cl)C(=C5Cl)Cl)C8=C(C=CC=C8Cl)Cl)C(=C4Cl)Cl)C9=C(C=CC=C9Cl)Cl)[N-]3)Cl)Cl)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)Cl)Cl)C7=C(C=CC=C7Cl)Cl)C(=C5Cl)Cl)C8=C(C=CC=C8Cl)Cl)C(=C4Cl)Cl)C9=C(C=CC=C9Cl)Cl)[N-]3)Cl)Cl)Cl.[Zn+2]

InChI

InChI=1S/C44H12Cl16N4.Zn/c45-13-5-1-6-14(46)21(13)25-37-29(53)31(55)39(61-37)26(22-15(47)7-2-8-16(22)48)41-33(57)35(59)43(63-41)28(24-19(51)11-4-12-20(24)52)44-36(60)34(58)42(64-44)27(23-17(49)9-3-10-18(23)50)40-32(56)30(54)38(25)62-40;/h1-12H;/q-2;+2