sodium 3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)-6-methyl-phenyl]benzoate

Systemtic Name: sodium 3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)-6-methyl-phenyl]benzoate Openeye Name: sodium 3-[2-(2-benzyloxy-5-chloro-phenyl)-6-methyl-phenyl]benzoate CAS Name: sodium 3-[2-(5-chloro-2-phenylmethoxyphenyl)-6-methylphenyl]benzoate IUPAC Name: sodium 3-[2-(5-chloro-2-phenylmethoxyphenyl)-6-methylphenyl]benzoate Traditional Name: sodium 3-[2-(2-benzoxy-5-chloro-phenyl)-6-methyl-phenyl]benzoate Formula: C27H20ClNaO3 MolecularWeight: 450.88867

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C2=CC(=CC=C2)C(=O)[O-])C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4.[Na+]

Isomeric SMILES

CC1=CC=CC(=C1C2=CC(=CC=C2)C(=O)[O-])C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4.[Na+]

InChI

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