3-tert-butyl-5-[2-carboxy-4-(oxidanylamino)-4-oxidanylidene-butyl]benzoic acid

Systemtic Name: 3-tert-butyl-5-[2-carboxy-4-(oxidanylamino)-4-oxidanylidene-butyl]benzoic acid Openeye Name: 3-tert-butyl-5-[2-carboxy-4-(hydroxyamino)-4-oxo-butyl]benzoic acid CAS Name: 3-tert-butyl-5-[2-carboxy-4-(hydroxyamino)-4-oxobutyl]benzoic acid IUPAC Name: 3-tert-butyl-5-[2-carboxy-4-(hydroxyamino)-4-oxobutyl]benzoic acid Traditional Name: 3-tert-butyl-5-[2-carboxy-4-(hydroxyamino)-4-keto-butyl]benzoic acid Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CC(CC(=O)NO)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CC(CC(=O)NO)C(=O)O)C(=O)O

InChI

InChI=1S/C16H21NO6/c1-16(2,3)12-6-9(4-10(7-12)14(19)20)5-11(15(21)22)8-13(18)17-23/h4,6-7,11,23H,5,8H2,1-3H3,(H,17,18)(H,19,20)(H,21,22)