[3-(4-chlorophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-tert-butylbenzoate

Systemtic Name: [3-(4-chlorophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-tert-butylbenzoate Openeye Name: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-(4-chlorophenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H20ClF3O4 MolecularWeight: 500.89351

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H20ClF3O4/c1-26(2,3)17-8-4-16(5-9-17)25(33)34-19-12-13-20-21(14-19)35-24(27(29,30)31)22(23(20)32)15-6-10-18(28)11-7-15/h4-14H,1-3H3