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

Systemtic Name: 2-bromanyl-4-[4-carboxy-1-(oxidanylamino)-1-oxidanylidene-3-sulfanyl-heptan-3-yl]benzoic acid Openeye Name: 2-bromo-4-[2-carboxy-1-[2-(hydroxyamino)-2-oxo-ethyl]-1-sulfanyl-pentyl]benzoic acid CAS Name: 2-bromo-4-[4-carboxy-1-(hydroxyamino)-3-mercapto-1-oxoheptan-3-yl]benzoic acid IUPAC Name: 2-bromo-4-[4-carboxy-1-(hydroxyamino)-1-oxo-3-sulfanylheptan-3-yl]benzoic acid Traditional Name: 2-bromo-4-[2-carboxy-1-[2-(hydroxyamino)-2-keto-ethyl]-1-mercapto-pentyl]benzoic acid Formula: C15H18BrNO6S MolecularWeight: 420.27552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)C(CC(=O)NO)(C1=CC(=C(C=C1)C(=O)O)Br)S

Isomeric SMILES

CCCC(C(=O)O)C(CC(=O)NO)(C1=CC(=C(C=C1)C(=O)O)Br)S

InChI

InChI=1S/C15H18BrNO6S/c1-2-3-10(14(21)22)15(24,7-12(18)17-23)8-4-5-9(13(19)20)11(16)6-8/h4-6,10,23-24H,2-3,7H2,1H3,(H,17,18)(H,19,20)(H,21,22)