[(2S)-5,7-dimethyl-4-oxidanylidene-2-(trichloromethyl)-3H-chromen-2-yl]azanium

Systemtic Name: [(2S)-5,7-dimethyl-4-oxidanylidene-2-(trichloromethyl)-3H-chromen-2-yl]azanium Openeye Name: [(2S)-5,7-dimethyl-4-oxo-2-(trichloromethyl)chroman-2-yl]ammonium CAS Name: [(2S)-5,7-dimethyl-4-oxo-2-(trichloromethyl)-3,4-dihydro-2H-1-benzopyran-2-yl]ammonium IUPAC Name: [(2S)-5,7-dimethyl-4-oxo-2-(trichloromethyl)-3H-chromen-2-yl]azanium Traditional Name: [(2S)-4-keto-5,7-dimethyl-2-(trichloromethyl)chroman-2-yl]ammonium Formula: C12H13Cl3NO2+ MolecularWeight: 309.59612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=O)CC(OC2=C1)(C(Cl)(Cl)Cl)[NH3+])C

Isomeric SMILES

CC1=CC(=C2C(=O)C[C@](OC2=C1)(C(Cl)(Cl)Cl)[NH3+])C

InChI

InChI=1S/C12H12Cl3NO2/c1-6-3-7(2)10-8(17)5-11(16,12(13,14)15)18-9(10)4-6/h3-4H,5,16H2,1-2H3/p+1/t11-/m0/s1