3,17-dinitro-5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-22,24-dihydro-21H-corrin

Systemtic Name: 3,17-dinitro-5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-22,24-dihydro-21H-corrin Openeye Name: 3,17-dinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-22,24-dihydro-21H-corrin CAS Name: 3,17-dinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-22,24-dihydro-21H-corrin IUPAC Name: 3,17-dinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-22,24-dihydro-21H-corrin Traditional Name: 3,17-dinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-22,24-dihydro-21H-corrin Formula: C37H9F15N6O4 MolecularWeight: 886.481208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=C(C=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)[N+](=O)[O-])[N+](=O)[O-])C8=C(C(=C(C(=C8F)F)F)F)F

Isomeric SMILES

C1=CC2=C(C3=C(C=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)[N+](=O)[O-])[N+](=O)[O-])C8=C(C(=C(C(=C8F)F)F)F)F

InChI

InChI=1S/C37H9F15N6O4/c38-21-18(22(39)28(45)33(50)27(21)44)15-7-1-3-9(53-7)16(19-23(40)29(46)34(51)30(47)24(19)41)36-13(57(59)60)5-11(55-36)12-6-14(58(61)62)37(56-12)17(10-4-2-8(15)54-10)20-25(42)31(48)35(52)32(49)26(20)43/h1-6,53,55-56H