sodium 6-methyl-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: sodium 6-methyl-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylate Openeye Name: sodium 6-methyl-4-oxo-cyclohexa-1,5-diene-1-carboxylate CAS Name: sodium 6-methyl-4-oxo-1-cyclohexa-1,5-dienecarboxylate IUPAC Name: sodium 6-methyl-4-oxocyclohexa-1,5-diene-1-carboxylate Traditional Name: sodium 4-keto-6-methyl-cyclohexa-1,5-diene-1-carboxylate Formula: C8H7NaO3 MolecularWeight: 174.12915

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O3.Na/c1-5-4-6(9)2-3-7(5)8(10)11;/h3-4H,2H2,1H3,(H,10,11);/q;+1/p-1