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

Systemtic Name: [3-(4-methoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-tert-butylbenzoate Openeye Name: [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-keto-3-(4-methoxyphenyl)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C28H23F3O5 MolecularWeight: 496.47443

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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)OC

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)OC

InChI

InChI=1S/C28H23F3O5/c1-27(2,3)18-9-5-17(6-10-18)26(33)35-20-13-14-21-22(15-20)36-25(28(29,30)31)23(24(21)32)16-7-11-19(34-4)12-8-16/h5-15H,1-4H3