3-tert-butyl-5-[2-carboxy-4-[1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]sulfanyl-butyl]benzoic acid

Systemtic Name: 3-tert-butyl-5-[2-carboxy-4-[1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]sulfanyl-butyl]benzoic acid Openeye Name: 3-tert-butyl-5-[2-carboxy-4-[1-(hydroxycarbamoyl)propylsulfanyl]butyl]benzoic acid CAS Name: 3-tert-butyl-5-[2-carboxy-4-[[1-(hydroxyamino)-1-oxobutan-2-yl]thio]butyl]benzoic acid IUPAC Name: 3-tert-butyl-5-[2-carboxy-4-[1-(hydroxyamino)-1-oxobutan-2-yl]sulfanylbutyl]benzoic acid Traditional Name: 3-tert-butyl-5-[2-carboxy-4-[1-(hydroxycarbamoyl)propylthio]butyl]benzoic acid Formula: C20H29NO6S MolecularWeight: 411.51236

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NO)SCCC(CC1=CC(=CC(=C1)C(=O)O)C(C)(C)C)C(=O)O

Isomeric SMILES

CCC(C(=O)NO)SCCC(CC1=CC(=CC(=C1)C(=O)O)C(C)(C)C)C(=O)O

InChI

InChI=1S/C20H29NO6S/c1-5-16(17(22)21-27)28-7-6-13(18(23)24)8-12-9-14(19(25)26)11-15(10-12)20(2,3)4/h9-11,13,16,27H,5-8H2,1-4H3,(H,21,22)(H,23,24)(H,25,26)