sodium 5-ethyl-6-methyl-4-phenyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: sodium 5-ethyl-6-methyl-4-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: sodium 5-ethyl-6-methyl-4-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: sodium 5-ethyl-6-methyl-4-phenyl-1-cyclohex-3-enecarboxylate IUPAC Name: sodium 5-ethyl-6-methyl-4-phenylcyclohex-3-ene-1-carboxylate Traditional Name: sodium 5-ethyl-6-methyl-4-phenyl-cyclohex-3-ene-1-carboxylate Formula: C16H19NaO2 MolecularWeight: 266.31063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(CC=C1C2=CC=CC=C2)C(=O)[O-])C.[Na+]

Isomeric SMILES

CCC1C(C(CC=C1C2=CC=CC=C2)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C16H20O2.Na/c1-3-13-11(2)14(16(17)18)9-10-15(13)12-7-5-4-6-8-12;/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,17,18);/q;+1/p-1