2-bromanyl-4-[2-carboxy-5-[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfanyl-pentyl]benzoic acid

Systemtic Name: 2-bromanyl-4-[2-carboxy-5-[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfanyl-pentyl]benzoic acid Openeye Name: 2-bromo-4-[2-carboxy-5-[2-(hydroxyamino)-2-oxo-ethyl]sulfanyl-pentyl]benzoic acid CAS Name: 2-bromo-4-[2-carboxy-5-[[2-(hydroxyamino)-2-oxoethyl]thio]pentyl]benzoic acid IUPAC Name: 2-bromo-4-[2-carboxy-5-[2-(hydroxyamino)-2-oxoethyl]sulfanylpentyl]benzoic acid Traditional Name: 2-bromo-4-[2-carboxy-5-[[2-(hydroxyamino)-2-keto-ethyl]thio]pentyl]benzoic acid Formula: C15H18BrNO6S MolecularWeight: 420.27552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(CCCSCC(=O)NO)C(=O)O)Br)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1CC(CCCSCC(=O)NO)C(=O)O)Br)C(=O)O

InChI

InChI=1S/C15H18BrNO6S/c16-12-7-9(3-4-11(12)15(21)22)6-10(14(19)20)2-1-5-24-8-13(18)17-23/h3-4,7,10,23H,1-2,5-6,8H2,(H,17,18)(H,19,20)(H,21,22)