4-[[2-(3,5-dimethyl-6-oxidanyl-4-oxidanylidene-pyran-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[2-(3,5-dimethyl-6-oxidanyl-4-oxidanylidene-pyran-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoic acid Openeye Name: 4-[[2-(6-hydroxy-3,5-dimethyl-4-oxo-pyran-2-yl)benzofuran-5-yl]oxymethyl]benzoic acid CAS Name: 4-[[2-(6-hydroxy-3,5-dimethyl-4-oxo-2-pyranyl)-5-benzofuranyl]oxymethyl]benzoic acid IUPAC Name: 4-[[2-(6-hydroxy-3,5-dimethyl-4-oxopyran-2-yl)-1-benzofuran-5-yl]oxymethyl]benzoic acid Traditional Name: 4-[[2-(6-hydroxy-4-keto-3,5-dimethyl-pyran-2-yl)benzofuran-5-yl]oxymethyl]benzoic acid Formula: C23H18O7 MolecularWeight: 406.38482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C(C1=O)C)O)C2=CC3=C(O2)C=CC(=C3)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C(OC(=C(C1=O)C)O)C2=CC3=C(O2)C=CC(=C3)OCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H18O7/c1-12-20(24)13(2)23(27)30-21(12)19-10-16-9-17(7-8-18(16)29-19)28-11-14-3-5-15(6-4-14)22(25)26/h3-10,27H,11H2,1-2H3,(H,25,26)