5-bromanyl-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-bromanyl-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 5-bromo-3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylic acid CAS Name: 5-bromo-3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 5-bromo-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 5-bromo-4-keto-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid Formula: C12H13BrO4 MolecularWeight: 301.13322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)C(C(C2)(C)C)Br)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=O)C(C(C2)(C)C)Br)C(=O)O

InChI

InChI=1S/C12H13BrO4/c1-5-7-6(17-9(5)11(15)16)4-12(2,3)10(13)8(7)14/h10H,4H2,1-3H3,(H,15,16)