sodium 3-tert-butyl-6-methyl-2-oxidanyl-benzoate

Systemtic Name: sodium 3-tert-butyl-6-methyl-2-oxidanyl-benzoate Openeye Name: sodium 3-tert-butyl-2-hydroxy-6-methyl-benzoate CAS Name: sodium 3-tert-butyl-2-hydroxy-6-methylbenzoate IUPAC Name: sodium 3-tert-butyl-2-hydroxy-6-methylbenzoate Traditional Name: sodium 3-tert-butyl-2-hydroxy-6-methyl-benzoate Formula: C12H15NaO3 MolecularWeight: 230.23547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(C)(C)C)O)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=C(C=C1)C(C)(C)C)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C12H16O3.Na/c1-7-5-6-8(12(2,3)4)10(13)9(7)11(14)15;/h5-6,13H,1-4H3,(H,14,15);/q;+1/p-1