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

Systemtic Name: 5-[[3-(3-methylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxymethyl]furan-2-carboxylic acid CAS Name: 5-[[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl]oxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[4-keto-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-7-yl]oxymethyl]-2-furoic acid Formula: C23H15F3O7 MolecularWeight: 460.35621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OCC4=CC=C(O4)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OCC4=CC=C(O4)C(=O)O)C(F)(F)F

InChI

InChI=1S/C23H15F3O7/c1-12-3-2-4-14(9-12)32-20-19(27)16-7-5-13(10-18(16)33-21(20)23(24,25)26)30-11-15-6-8-17(31-15)22(28)29/h2-10H,11H2,1H3,(H,28,29)