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

Systemtic Name: 3-tert-butyl-5-[2-carboxy-4-[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfanyl-butyl]benzoic acid Openeye Name: 3-tert-butyl-5-[2-carboxy-4-[2-(hydroxyamino)-2-oxo-ethyl]sulfanyl-butyl]benzoic acid CAS Name: 3-tert-butyl-5-[2-carboxy-4-[[2-(hydroxyamino)-2-oxoethyl]thio]butyl]benzoic acid IUPAC Name: 3-tert-butyl-5-[2-carboxy-4-[2-(hydroxyamino)-2-oxoethyl]sulfanylbutyl]benzoic acid Traditional Name: 3-tert-butyl-5-[2-carboxy-4-[[2-(hydroxyamino)-2-keto-ethyl]thio]butyl]benzoic acid Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO6S/c1-18(2,3)14-8-11(7-13(9-14)17(23)24)6-12(16(21)22)4-5-26-10-15(20)19-25/h7-9,12,25H,4-6,10H2,1-3H3,(H,19,20)(H,21,22)(H,23,24)