2-[(3-azanyl-2-methyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)disulfanyl]benzoic acid

Systemtic Name: 2-[(3-azanyl-2-methyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)disulfanyl]benzoic acid Openeye Name: 2-[(2-amino-3-hydroxy-1,1-dimethyl-3-oxo-propyl)disulfanyl]benzoic acid CAS Name: 2-[(3-amino-4-hydroxy-2-methyl-4-oxobutan-2-yl)disulfanyl]benzoic acid IUPAC Name: 2-[(3-amino-4-hydroxy-2-methyl-4-oxobutan-2-yl)disulfanyl]benzoic acid Traditional Name: 2-[(2-amino-3-hydroxy-3-keto-1,1-dimethyl-propyl)disulfanyl]benzoic acid Formula: C12H15NO4S2 MolecularWeight: 301.3818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)N)SSC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)(C(C(=O)O)N)SSC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C12H15NO4S2/c1-12(2,9(13)11(16)17)19-18-8-6-4-3-5-7(8)10(14)15/h3-6,9H,13H2,1-2H3,(H,14,15)(H,16,17)