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

Systemtic Name: 3-[2-carboxy-5-[1-(oxidanylamino)-1-oxidanylidene-pentan-2-yl]sulfanyl-pentyl]benzoic acid Openeye Name: 3-[2-carboxy-5-[1-(hydroxycarbamoyl)butylsulfanyl]pentyl]benzoic acid CAS Name: 3-[2-carboxy-5-[[1-(hydroxyamino)-1-oxopentan-2-yl]thio]pentyl]benzoic acid IUPAC Name: 3-[2-carboxy-5-[1-(hydroxyamino)-1-oxopentan-2-yl]sulfanylpentyl]benzoic acid Traditional Name: 3-[2-carboxy-5-[1-(hydroxycarbamoyl)butylthio]pentyl]benzoic acid Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NO)SCCCC(CC1=CC=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCC(C(=O)NO)SCCCC(CC1=CC=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C18H25NO6S/c1-2-5-15(16(20)19-25)26-9-4-8-14(18(23)24)11-12-6-3-7-13(10-12)17(21)22/h3,6-7,10,14-15,25H,2,4-5,8-9,11H2,1H3,(H,19,20)(H,21,22)(H,23,24)