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

Systemtic Name: [3-(4-tert-butylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3-chloranylbenzoate Openeye Name: [3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic 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] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [3-(4-tert-butylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H20ClF3O5 MolecularWeight: 516.89291

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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)Cl)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)Cl)C(F)(F)F

InChI

InChI=1S/C27H20ClF3O5/c1-26(2,3)16-7-9-18(10-8-16)34-23-22(32)20-12-11-19(14-21(20)36-24(23)27(29,30)31)35-25(33)15-5-4-6-17(28)13-15/h4-14H,1-3H3