sodium 1-[4-(4-chlorophenyl)butyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: sodium 1-[4-(4-chlorophenyl)butyl]cyclohex-3-ene-1-carboxylate Openeye Name: sodium 1-[4-(4-chlorophenyl)butyl]cyclohex-3-ene-1-carboxylate CAS Name: sodium 1-[4-(4-chlorophenyl)butyl]-1-cyclohex-3-enecarboxylate IUPAC Name: sodium 1-[4-(4-chlorophenyl)butyl]cyclohex-3-ene-1-carboxylate Traditional Name: sodium 1-[4-(4-chlorophenyl)butyl]cyclohex-3-ene-1-carboxylate Formula: C17H20ClNaO2 MolecularWeight: 314.78227

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)(CCCCC2=CC=C(C=C2)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

C1CC(CC=C1)(CCCCC2=CC=C(C=C2)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H21ClO2.Na/c18-15-9-7-14(8-10-15)6-2-5-13-17(16(19)20)11-3-1-4-12-17;/h1,3,7-10H,2,4-6,11-13H2,(H,19,20);/q;+1/p-1