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

Systemtic Name: sodium 5-[[5-chloranyl-2-(2-methylpropoxy)phenyl]methyl]furan-2-carboxylate Openeye Name: sodium 5-[(5-chloro-2-isobutoxy-phenyl)methyl]furan-2-carboxylate CAS Name: sodium 5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-2-furancarboxylate IUPAC Name: sodium 5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-carboxylate Traditional Name: sodium 5-(5-chloro-2-isobutoxy-benzyl)-2-furoate Formula: C16H16ClNaO4 MolecularWeight: 330.73861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClO4.Na/c1-10(2)9-20-14-5-3-12(17)7-11(14)8-13-4-6-15(21-13)16(18)19;/h3-7,10H,8-9H2,1-2H3,(H,18,19);/q;+1/p-1