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

Systemtic Name: 3-[2-carboxy-5-[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfanyl-pentyl]-5-phenoxy-benzoic acid Openeye Name: 3-[2-carboxy-5-[2-(hydroxyamino)-2-oxo-ethyl]sulfanyl-pentyl]-5-phenoxy-benzoic acid CAS Name: 3-[2-carboxy-5-[[2-(hydroxyamino)-2-oxoethyl]thio]pentyl]-5-phenoxybenzoic acid IUPAC Name: 3-[2-carboxy-5-[2-(hydroxyamino)-2-oxoethyl]sulfanylpentyl]-5-phenoxybenzoic acid Traditional Name: 3-[2-carboxy-5-[[2-(hydroxyamino)-2-keto-ethyl]thio]pentyl]-5-phenoxy-benzoic acid Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC(=CC(=C2)CC(CCCSCC(=O)NO)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC(=CC(=C2)CC(CCCSCC(=O)NO)C(=O)O)C(=O)O

InChI

InChI=1S/C21H23NO7S/c23-19(22-28)13-30-8-4-5-15(20(24)25)9-14-10-16(21(26)27)12-18(11-14)29-17-6-2-1-3-7-17/h1-3,6-7,10-12,15,28H,4-5,8-9,13H2,(H,22,23)(H,24,25)(H,26,27)