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

Systemtic Name: 3-[4-carboxy-1-(oxidanylamino)-1-oxidanylidene-3-sulfanyl-heptan-3-yl]-4-chloranyl-benzoic acid Openeye Name: 3-[2-carboxy-1-[2-(hydroxyamino)-2-oxo-ethyl]-1-sulfanyl-pentyl]-4-chloro-benzoic acid CAS Name: 3-[4-carboxy-1-(hydroxyamino)-3-mercapto-1-oxoheptan-3-yl]-4-chlorobenzoic acid IUPAC Name: 3-[4-carboxy-1-(hydroxyamino)-1-oxo-3-sulfanylheptan-3-yl]-4-chlorobenzoic acid Traditional Name: 3-[2-carboxy-1-[2-(hydroxyamino)-2-keto-ethyl]-1-mercapto-pentyl]-4-chloro-benzoic acid Formula: C15H18ClNO6S MolecularWeight: 375.82452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClNO6S/c1-2-3-9(14(21)22)15(24,7-12(18)17-23)10-6-8(13(19)20)4-5-11(10)16/h4-6,9,23-24H,2-3,7H2,1H3,(H,17,18)(H,19,20)(H,21,22)