2-[2,3-bis(oxidanyl)-2-(oxiran-2-yl)-3H-1-benzofuran-5-yl]ethanoic acid

Systemtic Name: 2-[2,3-bis(oxidanyl)-2-(oxiran-2-yl)-3H-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[2,3-dihydroxy-2-(oxiran-2-yl)-3H-benzofuran-5-yl]acetic acid CAS Name: 2-[2,3-dihydroxy-2-(2-oxiranyl)-3H-benzofuran-5-yl]acetic acid IUPAC Name: 2-[2,3-dihydroxy-2-(oxiran-2-yl)-3H-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[2,3-dihydroxy-2-(oxiran-2-yl)coumaran-5-yl]acetic acid Formula: C12H12O6 MolecularWeight: 252.22008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)C2(C(C3=C(O2)C=CC(=C3)CC(=O)O)O)O

Isomeric SMILES

C1C(O1)C2(C(C3=C(O2)C=CC(=C3)CC(=O)O)O)O

InChI

InChI=1S/C12H12O6/c13-10(14)4-6-1-2-8-7(3-6)11(15)12(16,18-8)9-5-17-9/h1-3,9,11,15-16H,4-5H2,(H,13,14)