4-nitrooxybutyl (2S)-6,8-bis(chloranyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate

Systemtic Name: 4-nitrooxybutyl (2S)-6,8-bis(chloranyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate Openeye Name: 4-nitrooxybutyl (2S)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate CAS Name: (2S)-6,8-dichloro-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl (2S)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate Traditional Name: (2S)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid 4-nitrooxybutyl ester Formula: C15H12Cl2F3NO6 MolecularWeight: 430.16009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C(OC2=C(C=C1Cl)Cl)C(F)(F)F)C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

C1=C2C=C([C@H](OC2=C(C=C1Cl)Cl)C(F)(F)F)C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C15H12Cl2F3NO6/c16-9-5-8-6-10(14(22)25-3-1-2-4-26-21(23)24)13(15(18,19)20)27-12(8)11(17)7-9/h5-7,13H,1-4H2/t13-/m0/s1