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

Systemtic Name: 3-[2-carboxy-5-[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfanyl-pentyl]-5-phenylmethoxy-benzoic acid Openeye Name: 3-benzyloxy-5-[2-carboxy-5-[2-(hydroxyamino)-2-oxo-ethyl]sulfanyl-pentyl]benzoic acid CAS Name: 3-[2-carboxy-5-[[2-(hydroxyamino)-2-oxoethyl]thio]pentyl]-5-phenylmethoxybenzoic acid IUPAC Name: 3-[2-carboxy-5-[2-(hydroxyamino)-2-oxoethyl]sulfanylpentyl]-5-phenylmethoxybenzoic acid Traditional Name: 3-benzoxy-5-[2-carboxy-5-[[2-(hydroxyamino)-2-keto-ethyl]thio]pentyl]benzoic acid Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC(=C2)CC(CCCSCC(=O)NO)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC(=C2)CC(CCCSCC(=O)NO)C(=O)O)C(=O)O

InChI

InChI=1S/C22H25NO7S/c24-20(23-29)14-31-8-4-7-17(21(25)26)9-16-10-18(22(27)28)12-19(11-16)30-13-15-5-2-1-3-6-15/h1-3,5-6,10-12,17,29H,4,7-9,13-14H2,(H,23,24)(H,25,26)(H,27,28)