sodium 1-(2-oxidanylidenepropyl)cyclohexane-1-carboxylate

Systemtic Name: sodium 1-(2-oxidanylidenepropyl)cyclohexane-1-carboxylate Openeye Name: sodium 1-acetonylcyclohexanecarboxylate CAS Name: sodium 1-(2-oxopropyl)-1-cyclohexanecarboxylate IUPAC Name: sodium 1-(2-oxopropyl)cyclohexane-1-carboxylate Traditional Name: sodium 1-acetonylcyclohexanecarboxylate Formula: C10H15NaO3 MolecularWeight: 206.21407

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1(CCCCC1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)CC1(CCCCC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C10H16O3.Na/c1-8(11)7-10(9(12)13)5-3-2-4-6-10;/h2-7H2,1H3,(H,12,13);/q;+1/p-1