3-[2-carboxy-5-[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfanyl-pentyl]benzoic acid

Systemtic Name: 3-[2-carboxy-5-[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfanyl-pentyl]benzoic acid Openeye Name: 3-[2-carboxy-5-[2-(hydroxyamino)-2-oxo-ethyl]sulfanyl-pentyl]benzoic acid CAS Name: 3-[2-carboxy-5-[[2-(hydroxyamino)-2-oxoethyl]thio]pentyl]benzoic acid IUPAC Name: 3-[2-carboxy-5-[2-(hydroxyamino)-2-oxoethyl]sulfanylpentyl]benzoic acid Traditional Name: 3-[2-carboxy-5-[[2-(hydroxyamino)-2-keto-ethyl]thio]pentyl]benzoic acid Formula: C15H19NO6S MolecularWeight: 341.37946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO6S/c17-13(16-22)9-23-6-2-5-12(15(20)21)8-10-3-1-4-11(7-10)14(18)19/h1,3-4,7,12,22H,2,5-6,8-9H2,(H,16,17)(H,18,19)(H,20,21)