6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-7-propyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-7-propyl-1-benzofuran-2-carboxylic acid Openeye Name: 6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-7-propyl-benzofuran-2-carboxylic acid CAS Name: 6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-7-propyl-2-benzofurancarboxylic acid IUPAC Name: 6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-7-propyl-1-benzofuran-2-carboxylic acid Traditional Name: 6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-7-propyl-coumarilic acid Formula: C26H30O8 MolecularWeight: 470.5116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C=C(O3)C(=O)O)CCC)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C=C(O3)C(=O)O)CCC)O

InChI

InChI=1S/C26H30O8/c1-4-6-19-21(11-9-18(15(3)27)24(19)29)32-13-17(28)14-33-22-10-8-16-12-23(26(30)31)34-25(16)20(22)7-5-2/h8-12,17,28-29H,4-7,13-14H2,1-3H3,(H,30,31)