[3-(4-tert-butylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] benzoate

Systemtic Name: [3-(4-tert-butylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] benzoate Openeye Name: [3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] benzoate CAS Name: benzoic acid [3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] benzoate Traditional Name: benzoic acid [3-(4-tert-butylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H21F3O5 MolecularWeight: 482.44785

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C27H21F3O5/c1-26(2,3)17-9-11-18(12-10-17)33-23-22(31)20-14-13-19(15-21(20)35-24(23)27(28,29)30)34-25(32)16-7-5-4-6-8-16/h4-15H,1-3H3