sodium 1-(phenylmethyl)cyclohexane-1-carboxylate

Systemtic Name: sodium 1-(phenylmethyl)cyclohexane-1-carboxylate Openeye Name: sodium 1-benzylcyclohexanecarboxylate CAS Name: sodium 1-(phenylmethyl)-1-cyclohexanecarboxylate IUPAC Name: sodium 1-benzylcyclohexane-1-carboxylate Traditional Name: sodium 1-benzylcyclohexanecarboxylate Formula: C14H17NaO2 MolecularWeight: 240.27335

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=CC=CC=C2)C(=O)[O-].[Na+]

Isomeric SMILES

C1CCC(CC1)(CC2=CC=CC=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H18O2.Na/c15-13(16)14(9-5-2-6-10-14)11-12-7-3-1-4-8-12;/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,16);/q;+1/p-1