3-[3-oxidanyl-2-[[4-(oxidanylamino)-4-oxidanylidene-butyl]sulfanylmethyl]-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 3-[3-oxidanyl-2-[[4-(oxidanylamino)-4-oxidanylidene-butyl]sulfanylmethyl]-3-oxidanylidene-propyl]benzoic acid Openeye Name: 3-[3-hydroxy-2-[[4-(hydroxyamino)-4-oxo-butyl]sulfanylmethyl]-3-oxo-propyl]benzoic acid CAS Name: 3-[3-hydroxy-2-[[[4-(hydroxyamino)-4-oxobutyl]thio]methyl]-3-oxopropyl]benzoic acid IUPAC Name: 3-[3-hydroxy-2-[[4-(hydroxyamino)-4-oxobutyl]sulfanylmethyl]-3-oxopropyl]benzoic acid Traditional Name: 3-[3-hydroxy-2-[[[4-(hydroxyamino)-4-keto-butyl]thio]methyl]-3-keto-propyl]benzoic acid Formula: C15H19NO6S MolecularWeight: 341.37946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO6S/c17-13(16-22)5-2-6-23-9-12(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)