3-[2-carboxy-4-[1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]sulfanyl-butyl]benzoic acid

Systemtic Name: 3-[2-carboxy-4-[1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]sulfanyl-butyl]benzoic acid Openeye Name: 3-[2-carboxy-4-[1-(hydroxycarbamoyl)propylsulfanyl]butyl]benzoic acid CAS Name: 3-[2-carboxy-4-[[1-(hydroxyamino)-1-oxobutan-2-yl]thio]butyl]benzoic acid IUPAC Name: 3-[2-carboxy-4-[1-(hydroxyamino)-1-oxobutan-2-yl]sulfanylbutyl]benzoic acid Traditional Name: 3-[2-carboxy-4-[1-(hydroxycarbamoyl)propylthio]butyl]benzoic acid Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NO)SCCC(CC1=CC=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCC(C(=O)NO)SCCC(CC1=CC=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C16H21NO6S/c1-2-13(14(18)17-23)24-7-6-12(16(21)22)9-10-4-3-5-11(8-10)15(19)20/h3-5,8,12-13,23H,2,6-7,9H2,1H3,(H,17,18)(H,19,20)(H,21,22)