sodium 5-[[5-chloranyl-2-(2-ethylbutoxy)phenyl]methyl]furan-2-carboxylate

Systemtic Name: sodium 5-[[5-chloranyl-2-(2-ethylbutoxy)phenyl]methyl]furan-2-carboxylate Openeye Name: sodium 5-[[5-chloro-2-(2-ethylbutoxy)phenyl]methyl]furan-2-carboxylate CAS Name: sodium 5-[[5-chloro-2-(2-ethylbutoxy)phenyl]methyl]-2-furancarboxylate IUPAC Name: sodium 5-[[5-chloro-2-(2-ethylbutoxy)phenyl]methyl]furan-2-carboxylate Traditional Name: sodium 5-[5-chloro-2-(2-ethylbutoxy)benzyl]-2-furoate Formula: C18H20ClNaO4 MolecularWeight: 358.79177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC1=C(C=C(C=C1)Cl)CC2=CC=C(O2)C(=O)[O-].[Na+]

Isomeric SMILES

CCC(CC)COC1=C(C=C(C=C1)Cl)CC2=CC=C(O2)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H21ClO4.Na/c1-3-12(4-2)11-22-16-7-5-14(19)9-13(16)10-15-6-8-17(23-15)18(20)21;/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,21);/q;+1/p-1