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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)C)OC(C(CO)O)OC2=C(C3=C(C=C2)C=C(O3)C(=O)O)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)C)OC(C(CO)O)OC2=C(C3=C(C=C2)C=C(O3)C(=O)O)CCC

InChI

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