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

Systemtic Name: sodium 5-[(5-chloranyl-2-phenethyloxy-phenyl)methyl]furan-2-carboxylate Openeye Name: sodium 5-[(5-chloro-2-phenethyloxy-phenyl)methyl]furan-2-carboxylate CAS Name: sodium 5-[(5-chloro-2-phenethyloxyphenyl)methyl]-2-furancarboxylate IUPAC Name: sodium 5-[(5-chloro-2-phenethyloxyphenyl)methyl]furan-2-carboxylate Traditional Name: sodium 5-(5-chloro-2-phenethyloxy-benzyl)-2-furoate Formula: C20H16ClNaO4 MolecularWeight: 378.78141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Cl)CC3=CC=C(O3)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Cl)CC3=CC=C(O3)C(=O)[O-].[Na+]

InChI

InChI=1S/C20H17ClO4.Na/c21-16-6-8-18(24-11-10-14-4-2-1-3-5-14)15(12-16)13-17-7-9-19(25-17)20(22)23;/h1-9,12H,10-11,13H2,(H,22,23);/q;+1/p-1