sodium 5-[[5-chloranyl-2-(2-methylpropoxy)phenyl]methyl]-4-methyl-furan-2-carboxylate

Systemtic Name: sodium 5-[[5-chloranyl-2-(2-methylpropoxy)phenyl]methyl]-4-methyl-furan-2-carboxylate Openeye Name: sodium 5-[(5-chloro-2-isobutoxy-phenyl)methyl]-4-methyl-furan-2-carboxylate CAS Name: sodium 5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-4-methyl-2-furancarboxylate IUPAC Name: sodium 5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-4-methylfuran-2-carboxylate Traditional Name: sodium 5-(5-chloro-2-isobutoxy-benzyl)-4-methyl-2-furoate Formula: C17H18ClNaO4 MolecularWeight: 344.76519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C(=O)[O-])CC2=C(C=CC(=C2)Cl)OCC(C)C.[Na+]

Isomeric SMILES

CC1=C(OC(=C1)C(=O)[O-])CC2=C(C=CC(=C2)Cl)OCC(C)C.[Na+]

InChI

InChI=1S/C17H19ClO4.Na/c1-10(2)9-21-14-5-4-13(18)7-12(14)8-15-11(3)6-16(22-15)17(19)20;/h4-7,10H,8-9H2,1-3H3,(H,19,20);/q;+1/p-1