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

Systemtic Name: 3-[3-[2-carboxy-5-[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfanyl-pentyl]phenyl]benzoic acid Openeye Name: 3-[3-[2-carboxy-5-[2-(hydroxyamino)-2-oxo-ethyl]sulfanyl-pentyl]phenyl]benzoic acid CAS Name: 3-[3-[2-carboxy-5-[[2-(hydroxyamino)-2-oxoethyl]thio]pentyl]phenyl]benzoic acid IUPAC Name: 3-[3-[2-carboxy-5-[2-(hydroxyamino)-2-oxoethyl]sulfanylpentyl]phenyl]benzoic acid Traditional Name: 3-[3-[2-carboxy-5-[[2-(hydroxyamino)-2-keto-ethyl]thio]pentyl]phenyl]benzoic acid Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(CCCSCC(=O)NO)C(=O)O)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CC(CCCSCC(=O)NO)C(=O)O)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C21H23NO6S/c23-19(22-28)13-29-9-3-8-17(20(24)25)11-14-4-1-5-15(10-14)16-6-2-7-18(12-16)21(26)27/h1-2,4-7,10,12,17,28H,3,8-9,11,13H2,(H,22,23)(H,24,25)(H,26,27)