3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)-6-methyl-phenyl]benzoic acid

Systemtic Name: 3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)-6-methyl-phenyl]benzoic acid Openeye Name: 3-[2-(2-benzyloxy-5-chloro-phenyl)-6-methyl-phenyl]benzoic acid CAS Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)-6-methylphenyl]benzoic acid IUPAC Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)-6-methylphenyl]benzoic acid Traditional Name: 3-[2-(2-benzoxy-5-chloro-phenyl)-6-methyl-phenyl]benzoic acid Formula: C27H21ClO3 MolecularWeight: 428.90684

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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

Isomeric SMILES

CC1=CC=CC(=C1C2=CC(=CC=C2)C(=O)O)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C27H21ClO3/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)