4-nitrooxybutyl (2S)-2-(trifluoromethyl)-6-(trifluoromethyloxy)-2H-chromene-3-carboxylate

Systemtic Name: 4-nitrooxybutyl (2S)-2-(trifluoromethyl)-6-(trifluoromethyloxy)-2H-chromene-3-carboxylate Openeye Name: 4-nitrooxybutyl (2S)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylate CAS Name: (2S)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl (2S)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylate Traditional Name: (2S)-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid 4-nitrooxybutyl ester Formula: C16H13F6NO7 MolecularWeight: 445.267339

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OC(F)(F)F)C=C(C(O2)C(F)(F)F)C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1OC(F)(F)F)C=C([C@H](O2)C(F)(F)F)C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C16H13F6NO7/c17-15(18,19)13-11(14(24)27-5-1-2-6-28-23(25)26)8-9-7-10(30-16(20,21)22)3-4-12(9)29-13/h3-4,7-8,13H,1-2,5-6H2/t13-/m0/s1