tetrasodium zinc 3,5-bis(fluoranyl)-4-[10,15,20-tris[2,6-bis(fluoranyl)-4-sulfonato-phenyl]-2,3,7,8,12,13,17,18-octakis(fluoranyl)porphyrin-21,22-diid-5-yl]benzenesulfonate

Systemtic Name: tetrasodium zinc 3,5-bis(fluoranyl)-4-[10,15,20-tris[2,6-bis(fluoranyl)-4-sulfonato-phenyl]-2,3,7,8,12,13,17,18-octakis(fluoranyl)porphyrin-21,22-diid-5-yl]benzenesulfonate Openeye Name: tetrasodium zinc 3,5-difluoro-4-[10,15,20-tris(2,6-difluoro-4-sulfonato-phenyl)-2,3,7,8,12,13,17,18-octafluoro-porphyrin-21,22-diid-5-yl]benzenesulfonate CAS Name: tetrasodium zinc 3,5-difluoro-4-[10,15,20-tris(2,6-difluoro-4-sulfonatophenyl)-2,3,7,8,12,13,17,18-octafluoro-5-porphyrin-21,22-diidyl]benzenesulfonate IUPAC Name: tetrasodium zinc 3,5-difluoro-4-[10,15,20-tris(2,6-difluoro-4-sulfonatophenyl)-2,3,7,8,12,13,17,18-octafluoroporphyrin-21,22-diid-5-yl]benzenesulfonate Traditional Name: tetrasodium zinc 3,5-difluoro-4-[10,15,20-tris(2,6-difluoro-4-sulfonato-phenyl)-2,3,7,8,12,13,17,18-octafluoro-porphine-21,22-diid-5-yl]besylate Formula: C44H8F16N4Na4O12S4Zn MolecularWeight: 1374.156451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1F)C2=C3C(=C(C(=C(C4=NC(=C(C5=NC(=C(C6=C(C(=C2[N-]6)F)F)C7=C(C=C(C=C7F)S(=O)(=O)[O-])F)C(=C5F)F)C8=C(C=C(C=C8F)S(=O)(=O)[O-])F)C(=C4F)F)C9=C(C=C(C=C9F)S(=O)(=O)[O-])F)[N-]3)F)F)F)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Zn+2]

Isomeric SMILES

C1=C(C=C(C(=C1F)C2=C3C(=C(C(=C(C4=NC(=C(C5=NC(=C(C6=C(C(=C2[N-]6)F)F)C7=C(C=C(C=C7F)S(=O)(=O)[O-])F)C(=C5F)F)C8=C(C=C(C=C8F)S(=O)(=O)[O-])F)C(=C4F)F)C9=C(C=C(C=C9F)S(=O)(=O)[O-])F)[N-]3)F)F)F)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Zn+2]

InChI

InChI=1S/C44H12F16N4O12S4.4Na.Zn/c45-13-1-9(77(65,66)67)2-14(46)21(13)25-37-29(53)31(55)39(61-37)26(22-15(47)3-10(4-16(22)48)78(68,69)70)41-33(57)35(59)43(63-41)28(24-19(51)7-12(8-20(24)52)80(74,75)76)44-36(60)34(58)42(64-44)27(40-32(56)30(54)38(25)62-40)23-17(49)5-11(6-18(23)50)79(71,72)73;;;;;/h1-8H,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;/q-2;4*+1;+2/p-4