3,5,6-trimethyl-1-benzofuran-2-carboxylate

Systemtic Name: 3,5,6-trimethyl-1-benzofuran-2-carboxylate Openeye Name: 3,5,6-trimethylbenzofuran-2-carboxylate CAS Name: 3,5,6-trimethyl-2-benzofurancarboxylate IUPAC Name: 3,5,6-trimethyl-1-benzofuran-2-carboxylate Traditional Name: 3,5,6-trimethylcoumarilate Formula: C12H11O3- MolecularWeight: 203.21394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(O2)C(=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(O2)C(=O)[O-])C)C

InChI

InChI=1S/C12H12O3/c1-6-4-9-8(3)11(12(13)14)15-10(9)5-7(6)2/h4-5H,1-3H3,(H,13,14)/p-1