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

Systemtic Name: 5-[[3-[4-(2-methylbutan-2-yl)phenoxy]-4-oxidanylidene-chromen-7-yl]oxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[3-[4-(1,1-dimethylpropyl)phenoxy]-4-oxo-chromen-7-yl]oxymethyl]furan-2-carboxylic acid CAS Name: 5-[[3-[4-(2-methylbutan-2-yl)phenoxy]-4-oxo-1-benzopyran-7-yl]oxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[3-[4-(2-methylbutan-2-yl)phenoxy]-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[3-(4-tert-amylphenoxy)-4-keto-chromen-7-yl]oxymethyl]-2-furoic acid Formula: C26H24O7 MolecularWeight: 448.46456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC4=CC=C(O4)C(=O)O

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC4=CC=C(O4)C(=O)O

InChI

InChI=1S/C26H24O7/c1-4-26(2,3)16-5-7-17(8-6-16)32-23-15-31-22-13-18(9-11-20(22)24(23)27)30-14-19-10-12-21(33-19)25(28)29/h5-13,15H,4,14H2,1-3H3,(H,28,29)