3-[2-carboxy-5-[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfanyl-pentyl]-4-chloranyl-benzoic acid

Systemtic Name: 3-[2-carboxy-5-[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfanyl-pentyl]-4-chloranyl-benzoic acid Openeye Name: 3-[2-carboxy-5-[2-(hydroxyamino)-2-oxo-ethyl]sulfanyl-pentyl]-4-chloro-benzoic acid CAS Name: 3-[2-carboxy-5-[[2-(hydroxyamino)-2-oxoethyl]thio]pentyl]-4-chlorobenzoic acid IUPAC Name: 3-[2-carboxy-5-[2-(hydroxyamino)-2-oxoethyl]sulfanylpentyl]-4-chlorobenzoic acid Traditional Name: 3-[2-carboxy-5-[[2-(hydroxyamino)-2-keto-ethyl]thio]pentyl]-4-chloro-benzoic acid Formula: C15H18ClNO6S MolecularWeight: 375.82452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)CC(CCCSCC(=O)NO)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)CC(CCCSCC(=O)NO)C(=O)O)Cl

InChI

InChI=1S/C15H18ClNO6S/c16-12-4-3-10(15(21)22)7-11(12)6-9(14(19)20)2-1-5-24-8-13(18)17-23/h3-4,7,9,23H,1-2,5-6,8H2,(H,17,18)(H,19,20)(H,21,22)