4-chloranyl-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyl-benzoic acid Openeye Name: 4-chloro-3-(3,5-ditert-butyl-4-hydroxy-benzoyl)benzoic acid CAS Name: 4-chloro-3-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]benzoic acid IUPAC Name: 4-chloro-3-(3,5-ditert-butyl-4-hydroxybenzoyl)benzoic acid Traditional Name: 4-chloro-3-(3,5-ditert-butyl-4-hydroxy-benzoyl)benzoic acid Formula: C22H25ClO4 MolecularWeight: 388.8845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C22H25ClO4/c1-21(2,3)15-10-13(11-16(19(15)25)22(4,5)6)18(24)14-9-12(20(26)27)7-8-17(14)23/h7-11,25H,1-6H3,(H,26,27)