[3-(4-chlorophenyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-cyclohexyl-ethyl-azanium

Systemtic Name: [3-(4-chlorophenyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-cyclohexyl-ethyl-azanium Openeye Name: [3-(4-chlorophenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-cyclohexyl-ethyl-ammonium CAS Name: [3-(4-chlorophenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-cyclohexyl-ethylammonium IUPAC Name: [3-(4-chlorophenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-cyclohexyl-ethylazanium Traditional Name: [3-(4-chlorophenyl)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-cyclohexyl-ethyl-ammonium Formula: C25H26ClF3NO3+ MolecularWeight: 480.92705

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=C(C=C3)Cl)C(F)(F)F)O)C4CCCCC4

Isomeric SMILES

CC[NH+](CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=C(C=C3)Cl)C(F)(F)F)O)C4CCCCC4

InChI

InChI=1S/C25H25ClF3NO3/c1-2-30(17-6-4-3-5-7-17)14-19-20(31)13-12-18-22(32)21(15-8-10-16(26)11-9-15)24(25(27,28)29)33-23(18)19/h8-13,17,31H,2-7,14H2,1H3/p+1