[4-oxidanylidene-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 3-methylbenzoate

Systemtic Name: [4-oxidanylidene-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 3-methylbenzoate Openeye Name: [3-(2-isopropylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-(2-propan-2-ylphenoxy)-2-(trifluoromethyl)chromen-7-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [3-(2-isopropylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H21F3O5 MolecularWeight: 482.44785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC=C4C(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC=C4C(C)C

InChI

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