1-[2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propyl]piperidine

Systemtic Name: 1-[2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propyl]piperidine Openeye Name: 1-[2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propyl]piperidine CAS Name: 1-[2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propyl]piperidine IUPAC Name: 1-[2,3-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]propyl]piperidine Traditional Name: 1-[2,3-bis(2-nitro-4-triflyl-phenoxy)propyl]piperidine Formula: C22H21F6N3O10S2 MolecularWeight: 665.536659

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(COC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])OC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC(COC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])OC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H21F6N3O10S2/c23-21(24,25)42(36,37)15-4-6-19(17(10-15)30(32)33)40-13-14(12-29-8-2-1-3-9-29)41-20-7-5-16(11-18(20)31(34)35)43(38,39)22(26,27)28/h4-7,10-11,14H,1-3,8-9,12-13H2