[3,6-dinitro-9-octyl-7-(trifluoromethylsulfonyloxy)carbazol-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3,6-dinitro-9-octyl-7-(trifluoromethylsulfonyloxy)carbazol-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [3,6-dinitro-9-octyl-7-(trifluoromethylsulfonyloxy)carbazol-2-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3,6-dinitro-9-octyl-7-(trifluoromethylsulfonyloxy)-2-carbazolyl] ester IUPAC Name: [3,6-dinitro-9-octyl-7-(trifluoromethylsulfonyloxy)carbazol-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (3,6-dinitro-9-octyl-7-triflyloxy-carbazol-2-yl) ester Formula: C22H21F6N3O10S2 MolecularWeight: 665.536659

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=CC(=C(C=C2C3=CC(=C(C=C31)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCCCCCN1C2=CC(=C(C=C2C3=CC(=C(C=C31)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C22H21F6N3O10S2/c1-2-3-4-5-6-7-8-29-15-11-19(40-42(36,37)21(23,24)25)17(30(32)33)9-13(15)14-10-18(31(34)35)20(12-16(14)29)41-43(38,39)22(26,27)28/h9-12H,2-8H2,1H3