sodium 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]cyclohexene-1-carboxylate

Systemtic Name: sodium 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]cyclohexene-1-carboxylate Openeye Name: sodium 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]cyclohexene-1-carboxylate CAS Name: sodium 2-[[3,5-bis(trifluoromethyl)anilino]-oxomethyl]-1-cyclohexenecarboxylate IUPAC Name: sodium 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]cyclohexene-1-carboxylate Traditional Name: sodium 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]cyclohexene-1-carboxylate Formula: C16H12F6NNaO3 MolecularWeight: 403.251569

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)[O-].[Na+]

Isomeric SMILES

C1CCC(=C(C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H13F6NO3.Na/c17-15(18,19)8-5-9(16(20,21)22)7-10(6-8)23-13(24)11-3-1-2-4-12(11)14(25)26;/h5-7H,1-4H2,(H,23,24)(H,25,26);/q;+1/p-1