sodium 5-[(5-chloranyl-2-pentan-3-yloxy-phenyl)methyl]furan-2-carboxylate

Systemtic Name: sodium 5-[(5-chloranyl-2-pentan-3-yloxy-phenyl)methyl]furan-2-carboxylate Openeye Name: sodium 5-[[5-chloro-2-(1-ethylpropoxy)phenyl]methyl]furan-2-carboxylate CAS Name: sodium 5-[(5-chloro-2-pentan-3-yloxyphenyl)methyl]-2-furancarboxylate IUPAC Name: sodium 5-[(5-chloro-2-pentan-3-yloxyphenyl)methyl]furan-2-carboxylate Traditional Name: sodium 5-[5-chloro-2-(1-ethylpropoxy)benzyl]-2-furoate Formula: C17H18ClNaO4 MolecularWeight: 344.76519

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=C(C=C(C=C1)Cl)CC2=CC=C(O2)C(=O)[O-].[Na+]

Isomeric SMILES

CCC(CC)OC1=C(C=C(C=C1)Cl)CC2=CC=C(O2)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H19ClO4.Na/c1-3-13(4-2)21-15-7-5-12(18)9-11(15)10-14-6-8-16(22-14)17(19)20;/h5-9,13H,3-4,10H2,1-2H3,(H,19,20);/q;+1/p-1