3,17,18-trinitro-5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-22,23-dihydro-21H-corrin

Systemtic Name: 3,17,18-trinitro-5,10,15-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-22,23-dihydro-21H-corrin Openeye Name: 3,17,18-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin CAS Name: 3,17,18-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin IUPAC Name: 3,17,18-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin Traditional Name: 3,17,18-trinitro-5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin Formula: C37H8F15N7O6 MolecularWeight: 931.478768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=C(C=C(N3)C4=NC(=C(C5=CC=C(N5)C(=C1N2)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C(=C4[N+](=O)[O-])[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=NC(=C(C5=CC=C(N5)C(=C1N2)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C(=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C8=C(C(=C(C(=C8F)F)F)F)F

InChI

InChI=1S/C37H8F15N7O6/c38-18-15(19(39)25(45)30(50)24(18)44)12-6-1-3-8(53-6)13(16-20(40)26(46)31(51)27(47)21(16)41)34-11(57(60)61)5-10(55-34)33-36(58(62)63)37(59(64)65)35(56-33)14(9-4-2-7(12)54-9)17-22(42)28(48)32(52)29(49)23(17)43/h1-5,53-55H