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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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