sodium 4-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: sodium 4-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: sodium 4-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]cyclohexanecarboxylate CAS Name: sodium 4-[[3,5-bis(trifluoromethyl)anilino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: sodium 4-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: sodium 4-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]cyclohexanecarboxylate Formula: C16H14F6NNaO3 MolecularWeight: 405.267449

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)[O-].[Na+]

Isomeric SMILES

C1CC(CCC1C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H15F6NO3.Na/c17-15(18,19)10-5-11(16(20,21)22)7-12(6-10)23-13(24)8-1-3-9(4-2-8)14(25)26;/h5-9H,1-4H2,(H,23,24)(H,25,26);/q;+1/p-1