2-(3-carboxyphenyl)-5-[[4-(oxidanylamino)-4-oxidanylidene-butyl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-(3-carboxyphenyl)-5-[[4-(oxidanylamino)-4-oxidanylidene-butyl]sulfanylmethyl]benzoic acid Openeye Name: 2-(3-carboxyphenyl)-5-[[4-(hydroxyamino)-4-oxo-butyl]sulfanylmethyl]benzoic acid CAS Name: 2-(3-carboxyphenyl)-5-[[[4-(hydroxyamino)-4-oxobutyl]thio]methyl]benzoic acid IUPAC Name: 2-(3-carboxyphenyl)-5-[[4-(hydroxyamino)-4-oxobutyl]sulfanylmethyl]benzoic acid Traditional Name: 2-(3-carboxyphenyl)-5-[[[4-(hydroxyamino)-4-keto-butyl]thio]methyl]benzoic acid Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=C(C=C(C=C2)CSCCCC(=O)NO)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=C(C=C(C=C2)CSCCCC(=O)NO)C(=O)O

InChI

InChI=1S/C19H19NO6S/c21-17(20-26)5-2-8-27-11-12-6-7-15(16(9-12)19(24)25)13-3-1-4-14(10-13)18(22)23/h1,3-4,6-7,9-10,26H,2,5,8,11H2,(H,20,21)(H,22,23)(H,24,25)