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

Systemtic Name: 3-[2-carboxy-5-[2-(oxidanylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-pentyl]benzoic acid Openeye Name: 3-[2-carboxy-5-[2-(hydroxyamino)-2-oxo-1-phenyl-ethyl]sulfanyl-pentyl]benzoic acid CAS Name: 3-[2-carboxy-5-[[2-(hydroxyamino)-2-oxo-1-phenylethyl]thio]pentyl]benzoic acid IUPAC Name: 3-[2-carboxy-5-[2-(hydroxyamino)-2-oxo-1-phenylethyl]sulfanylpentyl]benzoic acid Traditional Name: 3-[2-carboxy-5-[[2-(hydroxyamino)-2-keto-1-phenyl-ethyl]thio]pentyl]benzoic acid Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NO)SCCCC(CC2=CC=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NO)SCCCC(CC2=CC=CC(=C2)C(=O)O)C(=O)O

InChI

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