2-chloranyl-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)amino]benzoic acid hydrochloride

Systemtic Name: 2-chloranyl-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)amino]benzoic acid hydrochloride Openeye Name: 2-chloro-5-(3,5-ditert-butyl-4-hydroxy-anilino)benzoic acid hydrochloride CAS Name: 2-chloro-5-(3,5-ditert-butyl-4-hydroxyanilino)benzoic acid hydrochloride IUPAC Name: 2-chloro-5-(3,5-ditert-butyl-4-hydroxyanilino)benzoic acid hydrochloride Traditional Name: 2-chloro-5-(3,5-ditert-butyl-4-hydroxy-anilino)benzoic acid hydrochloride Formula: C21H27Cl2NO3 MolecularWeight: 412.34998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC2=CC(=C(C=C2)Cl)C(=O)O.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC2=CC(=C(C=C2)Cl)C(=O)O.Cl

InChI

InChI=1S/C21H26ClNO3.ClH/c1-20(2,3)15-10-13(11-16(18(15)24)21(4,5)6)23-12-7-8-17(22)14(9-12)19(25)26;/h7-11,23-24H,1-6H3,(H,25,26);1H