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

Systemtic Name: 3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)-(4-oxidanyl-4-oxidanylidene-butanoyl)amino]benzoic acid Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-N-(4-hydroxy-4-oxo-butanoyl)anilino)benzoic acid CAS Name: 3-(3,5-ditert-butyl-4-hydroxy-N-(4-hydroxy-1,4-dioxobutyl)anilino)benzoic acid IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxy-N-(4-hydroxy-4-oxobutanoyl)anilino)benzoic acid Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-N-(4-hydroxy-4-keto-butanoyl)anilino)benzoic acid Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N(C2=CC=CC(=C2)C(=O)O)C(=O)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N(C2=CC=CC(=C2)C(=O)O)C(=O)CCC(=O)O

InChI

InChI=1S/C25H31NO6/c1-24(2,3)18-13-17(14-19(22(18)30)25(4,5)6)26(20(27)10-11-21(28)29)16-9-7-8-15(12-16)23(31)32/h7-9,12-14,30H,10-11H2,1-6H3,(H,28,29)(H,31,32)