sodium 3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)-5-methyl-phenyl]benzoate

Systemtic Name: sodium 3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)-5-methyl-phenyl]benzoate Openeye Name: sodium 3-[2-(2-benzyloxy-5-chloro-phenyl)-5-methyl-phenyl]benzoate CAS Name: sodium 3-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylphenyl]benzoate IUPAC Name: sodium 3-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylphenyl]benzoate Traditional Name: sodium 3-[2-(2-benzoxy-5-chloro-phenyl)-5-methyl-phenyl]benzoate Formula: C27H20ClNaO3 MolecularWeight: 450.88867

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)C4=CC(=CC=C4)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)C4=CC(=CC=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C27H21ClO3.Na/c1-18-10-12-23(24(14-18)20-8-5-9-21(15-20)27(29)30)25-16-22(28)11-13-26(25)31-17-19-6-3-2-4-7-19;/h2-16H,17H2,1H3,(H,29,30);/q;+1/p-1