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

Systemtic Name: 3-[2-carboxy-5-[5-(oxidanylamino)-5-oxidanylidene-pentyl]sulfanyl-pentyl]benzoic acid Openeye Name: 3-[2-carboxy-5-[5-(hydroxyamino)-5-oxo-pentyl]sulfanyl-pentyl]benzoic acid CAS Name: 3-[2-carboxy-5-[[5-(hydroxyamino)-5-oxopentyl]thio]pentyl]benzoic acid IUPAC Name: 3-[2-carboxy-5-[5-(hydroxyamino)-5-oxopentyl]sulfanylpentyl]benzoic acid Traditional Name: 3-[2-carboxy-5-[[5-(hydroxyamino)-5-keto-pentyl]thio]pentyl]benzoic acid Formula: C18H25NO6S MolecularWeight: 383.4592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(CCCSCCCCC(=O)NO)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CC(CCCSCCCCC(=O)NO)C(=O)O)C(=O)O

InChI

InChI=1S/C18H25NO6S/c20-16(19-25)8-1-2-9-26-10-4-7-15(18(23)24)12-13-5-3-6-14(11-13)17(21)22/h3,5-6,11,15,25H,1-2,4,7-10,12H2,(H,19,20)(H,21,22)(H,23,24)