[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C18H11F3O4 MolecularWeight: 348.27275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C18H11F3O4/c1-10-2-4-11(5-3-10)17(23)24-12-6-7-13-14(18(19,20)21)9-16(22)25-15(13)8-12/h2-9H,1H3