3-tert-butyl-5-[(1-oxidanyl-1-oxidanylidene-5-sulfanyl-pentan-2-yl)amino]benzoic acid

Systemtic Name: 3-tert-butyl-5-[(1-oxidanyl-1-oxidanylidene-5-sulfanyl-pentan-2-yl)amino]benzoic acid Openeye Name: 3-tert-butyl-5-[(1-carboxy-4-sulfanyl-butyl)amino]benzoic acid CAS Name: 3-tert-butyl-5-[(1-hydroxy-5-mercapto-1-oxopentan-2-yl)amino]benzoic acid IUPAC Name: 3-tert-butyl-5-[(1-hydroxy-1-oxo-5-sulfanylpentan-2-yl)amino]benzoic acid Traditional Name: 3-tert-butyl-5-[(1-carboxy-4-mercapto-butyl)amino]benzoic acid Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)O)NC(CCCS)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)O)NC(CCCS)C(=O)O

InChI

InChI=1S/C16H23NO4S/c1-16(2,3)11-7-10(14(18)19)8-12(9-11)17-13(15(20)21)5-4-6-22/h7-9,13,17,22H,4-6H2,1-3H3,(H,18,19)(H,20,21)