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

Systemtic Name: 3-[2-carboxy-5-[3-(oxidanylamino)-3-oxidanylidene-propyl]sulfanyl-pentyl]benzoic acid Openeye Name: 3-[2-carboxy-5-[3-(hydroxyamino)-3-oxo-propyl]sulfanyl-pentyl]benzoic acid CAS Name: 3-[2-carboxy-5-[[3-(hydroxyamino)-3-oxopropyl]thio]pentyl]benzoic acid IUPAC Name: 3-[2-carboxy-5-[3-(hydroxyamino)-3-oxopropyl]sulfanylpentyl]benzoic acid Traditional Name: 3-[2-carboxy-5-[[3-(hydroxyamino)-3-keto-propyl]thio]pentyl]benzoic acid Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO6S/c18-14(17-23)6-8-24-7-2-5-13(16(21)22)10-11-3-1-4-12(9-11)15(19)20/h1,3-4,9,13,23H,2,5-8,10H2,(H,17,18)(H,19,20)(H,21,22)