3-tert-butyl-5-[4-carboxy-1-(oxidanylamino)-1-oxidanylidene-3-sulfanyl-hexan-3-yl]benzoic acid

Systemtic Name: 3-tert-butyl-5-[4-carboxy-1-(oxidanylamino)-1-oxidanylidene-3-sulfanyl-hexan-3-yl]benzoic acid Openeye Name: 3-tert-butyl-5-[2-carboxy-1-[2-(hydroxyamino)-2-oxo-ethyl]-1-sulfanyl-butyl]benzoic acid CAS Name: 3-tert-butyl-5-[4-carboxy-1-(hydroxyamino)-3-mercapto-1-oxohexan-3-yl]benzoic acid IUPAC Name: 3-tert-butyl-5-[4-carboxy-1-(hydroxyamino)-1-oxo-3-sulfanylhexan-3-yl]benzoic acid Traditional Name: 3-tert-butyl-5-[2-carboxy-1-[2-(hydroxyamino)-2-keto-ethyl]-1-mercapto-butyl]benzoic acid Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO6S/c1-5-13(16(23)24)18(26,9-14(20)19-25)12-7-10(15(21)22)6-11(8-12)17(2,3)4/h6-8,13,25-26H,5,9H2,1-4H3,(H,19,20)(H,21,22)(H,23,24)