sodium 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: sodium 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxylate Openeye Name: sodium 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylate CAS Name: sodium 3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxylate IUPAC Name: sodium 3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylate Traditional Name: sodium 4-keto-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylate Formula: C12H13NaO4 MolecularWeight: 244.21899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)[O-].[Na+]

InChI

InChI=1S/C12H14O4.Na/c1-6-9-7(13)4-12(2,3)5-8(9)16-10(6)11(14)15;/h4-5H2,1-3H3,(H,14,15);/q;+1/p-1