ethanedioic acid; propan-2-yl 6-bromanyl-2-methyl-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethanedioic acid; propan-2-yl 6-bromanyl-2-methyl-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: isopropyl 6-bromo-5-hydroxy-2-methyl-benzofuran-3-carboxylate; oxalic acid CAS Name: 6-bromo-5-hydroxy-2-methyl-3-benzofurancarboxylic acid propan-2-yl ester; oxalic acid IUPAC Name: oxalic acid; propan-2-yl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-2-methyl-benzofuran-3-carboxylic acid isopropyl ester; oxalic acid Formula: C15H15BrO8 MolecularWeight: 403.1788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)Br)O)C(=O)OC(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2O1)Br)O)C(=O)OC(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H13BrO4.C2H2O4/c1-6(2)17-13(16)12-7(3)18-11-5-9(14)10(15)4-8(11)12;3-1(4)2(5)6/h4-6,15H,1-3H3;(H,3,4)(H,5,6)