3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)-5-methyl-phenyl]benzoic acid

Systemtic Name: 3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)-5-methyl-phenyl]benzoic acid Openeye Name: 3-[2-(2-benzyloxy-5-chloro-phenyl)-5-methyl-phenyl]benzoic acid CAS Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylphenyl]benzoic acid IUPAC Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylphenyl]benzoic acid Traditional Name: 3-[2-(2-benzoxy-5-chloro-phenyl)-5-methyl-phenyl]benzoic acid Formula: C27H21ClO3 MolecularWeight: 428.90684

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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

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C27H21ClO3/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)