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

Systemtic Name: 5-[[4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl]oxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl]oxymethyl]furan-2-carboxylic acid CAS Name: 5-[[4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)-1-benzopyran-7-yl]oxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl]oxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[4-keto-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-yl]oxymethyl]-2-furoic acid Formula: C28H17F3O7 MolecularWeight: 522.42559

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OC3=C(OC4=C(C3=O)C=CC(=C4)OCC5=CC=C(O5)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OC3=C(OC4=C(C3=O)C=CC(=C4)OCC5=CC=C(O5)C(=O)O)C(F)(F)F

InChI

InChI=1S/C28H17F3O7/c29-28(30,31)26-25(37-18-8-6-17(7-9-18)16-4-2-1-3-5-16)24(32)21-12-10-19(14-23(21)38-26)35-15-20-11-13-22(36-20)27(33)34/h1-14H,15H2,(H,33,34)