6-bromanyl-2-tert-butyl-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: 6-bromanyl-2-tert-butyl-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: 6-bromo-2-tert-butyl-5-hydroxy-benzofuran-3-carboxylate CAS Name: 6-bromo-2-tert-butyl-5-hydroxy-3-benzofurancarboxylate IUPAC Name: 6-bromo-2-tert-butyl-5-hydroxy-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-2-tert-butyl-5-hydroxy-benzofuran-3-carboxylate Formula: C13H12BrO4- MolecularWeight: 312.13598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=CC(=C(C=C2O1)Br)O)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C2=CC(=C(C=C2O1)Br)O)C(=O)[O-]

InChI

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