5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-22,24-dihydro-21H-corrin-2-sulfonyl chloride

Systemtic Name: 5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-22,24-dihydro-21H-corrin-2-sulfonyl chloride Openeye Name: 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-22,24-dihydro-21H-corrin-2-sulfonyl chloride CAS Name: 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-22,24-dihydro-21H-corrin-2-sulfonyl chloride IUPAC Name: 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-22,24-dihydro-21H-corrin-2-sulfonyl chloride Traditional Name: 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-22,24-dihydro-21H-corrin-2-sulfonyl chloride Formula: C37H10ClF15N4O2S MolecularWeight: 894.994948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=CC(=C(N3)C4=CC=C(N4)C(=C5C=CC(=N5)C(=C1N2)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)S(=O)(=O)Cl)C8=C(C(=C(C(=C8F)F)F)F)F

Isomeric SMILES

C1=CC2=C(C3=CC(=C(N3)C4=CC=C(N4)C(=C5C=CC(=N5)C(=C1N2)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)S(=O)(=O)Cl)C8=C(C(=C(C(=C8F)F)F)F)F

InChI

InChI=1S/C37H10ClF15N4O2S/c38-60(58,59)15-7-14-18(21-26(43)32(49)36(53)33(50)27(21)44)12-4-3-9(55-12)16(19-22(39)28(45)34(51)29(46)23(19)40)8-1-2-10(54-8)17(11-5-6-13(56-11)37(15)57-14)20-24(41)30(47)35(52)31(48)25(20)42/h1-7,55-57H