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

Systemtic Name: 3-bromanyl-5-[2-carboxy-5-[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfanyl-pentyl]benzoic acid Openeye Name: 3-bromo-5-[2-carboxy-5-[2-(hydroxyamino)-2-oxo-ethyl]sulfanyl-pentyl]benzoic acid CAS Name: 3-bromo-5-[2-carboxy-5-[[2-(hydroxyamino)-2-oxoethyl]thio]pentyl]benzoic acid IUPAC Name: 3-bromo-5-[2-carboxy-5-[2-(hydroxyamino)-2-oxoethyl]sulfanylpentyl]benzoic acid Traditional Name: 3-bromo-5-[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=C(C=C(C=C1Br)C(=O)O)CC(CCCSCC(=O)NO)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1Br)C(=O)O)CC(CCCSCC(=O)NO)C(=O)O

InChI

InChI=1S/C15H18BrNO6S/c16-12-6-9(5-11(7-12)15(21)22)4-10(14(19)20)2-1-3-24-8-13(18)17-23/h5-7,10,23H,1-4,8H2,(H,17,18)(H,19,20)(H,21,22)