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

Systemtic Name: sodium 3,6,6-trimethyl-4-oxidanyl-5,7-dihydro-4H-1-benzofuran-2-carboxylate Openeye Name: sodium 4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-benzofuran-2-carboxylate CAS Name: sodium 4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-benzofuran-2-carboxylate IUPAC Name: sodium 4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-2-carboxylate Traditional Name: sodium 4-hydroxy-3,6,6-trimethyl-5,7-dihydro-4H-benzofuran-2-carboxylate Formula: C12H15NaO4 MolecularWeight: 246.23487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4.Na/c1-6-9-7(13)4-12(2,3)5-8(9)16-10(6)11(14)15;/h7,13H,4-5H2,1-3H3,(H,14,15);/q;+1/p-1