5-[[3-(4-tert-butylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxymethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[3-(4-tert-butylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxymethyl]furan-2-carboxylic acid CAS Name: 5-[[3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl]oxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[3-(4-tert-butylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl]oxymethyl]-2-furoic acid Formula: C26H21F3O7 MolecularWeight: 502.43595

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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)OCC4=CC=C(O4)C(=O)O)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OCC4=CC=C(O4)C(=O)O)C(F)(F)F

InChI

InChI=1S/C26H21F3O7/c1-25(2,3)14-4-6-15(7-5-14)35-22-21(30)18-10-8-16(12-20(18)36-23(22)26(27,28)29)33-13-17-9-11-19(34-17)24(31)32/h4-12H,13H2,1-3H3,(H,31,32)