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

Systemtic Name: 3-[2-carboxy-5-[1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]sulfanyl-pentyl]benzoic acid Openeye Name: 3-[2-carboxy-5-[1-(hydroxycarbamoyl)propylsulfanyl]pentyl]benzoic acid CAS Name: 3-[2-carboxy-5-[[1-(hydroxyamino)-1-oxobutan-2-yl]thio]pentyl]benzoic acid IUPAC Name: 3-[2-carboxy-5-[1-(hydroxyamino)-1-oxobutan-2-yl]sulfanylpentyl]benzoic acid Traditional Name: 3-[2-carboxy-5-[1-(hydroxycarbamoyl)propylthio]pentyl]benzoic acid Formula: C17H23NO6S MolecularWeight: 369.43262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO6S/c1-2-14(15(19)18-24)25-8-4-7-13(17(22)23)10-11-5-3-6-12(9-11)16(20)21/h3,5-6,9,13-14,24H,2,4,7-8,10H2,1H3,(H,18,19)(H,20,21)(H,22,23)