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

Systemtic Name: 3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)amino]benzoic acid Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-anilino)benzoic acid CAS Name: 3-(3,5-ditert-butyl-4-hydroxyanilino)benzoic acid IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyanilino)benzoic acid Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-anilino)benzoic acid Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3/c1-20(2,3)16-11-15(12-17(18(16)23)21(4,5)6)22-14-9-7-8-13(10-14)19(24)25/h7-12,22-23H,1-6H3,(H,24,25)