3-[(4-tert-butylphenoxy)methyl]-5-(3-chloranyl-4-fluoranyl-phenyl)-2-oxidanyl-benzoic acid

Systemtic Name: 3-[(4-tert-butylphenoxy)methyl]-5-(3-chloranyl-4-fluoranyl-phenyl)-2-oxidanyl-benzoic acid Openeye Name: 3-[(4-tert-butylphenoxy)methyl]-5-(3-chloro-4-fluoro-phenyl)-2-hydroxy-benzoic acid CAS Name: 3-[(4-tert-butylphenoxy)methyl]-5-(3-chloro-4-fluorophenyl)-2-hydroxybenzoic acid IUPAC Name: 3-[(4-tert-butylphenoxy)methyl]-5-(3-chloro-4-fluorophenyl)-2-hydroxybenzoic acid Traditional Name: 3-[(4-tert-butylphenoxy)methyl]-5-(3-chloro-4-fluoro-phenyl)-2-hydroxy-benzoic acid Formula: C24H22ClFO4 MolecularWeight: 428.880483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=CC(=CC(=C2O)C(=O)O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC(=CC(=C2O)C(=O)O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C24H22ClFO4/c1-24(2,3)17-5-7-18(8-6-17)30-13-16-10-15(11-19(22(16)27)23(28)29)14-4-9-21(26)20(25)12-14/h4-12,27H,13H2,1-3H3,(H,28,29)