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

Systemtic Name: 2-(3-carboxyphenyl)-5-[[3-(oxidanylamino)-3-oxidanylidene-propyl]sulfanylmethyl]benzoic acid Openeye Name: 2-(3-carboxyphenyl)-5-[[3-(hydroxyamino)-3-oxo-propyl]sulfanylmethyl]benzoic acid CAS Name: 2-(3-carboxyphenyl)-5-[[[3-(hydroxyamino)-3-oxopropyl]thio]methyl]benzoic acid IUPAC Name: 2-(3-carboxyphenyl)-5-[[3-(hydroxyamino)-3-oxopropyl]sulfanylmethyl]benzoic acid Traditional Name: 2-(3-carboxyphenyl)-5-[[[3-(hydroxyamino)-3-keto-propyl]thio]methyl]benzoic acid Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO6S/c20-16(19-25)6-7-26-10-11-4-5-14(15(8-11)18(23)24)12-2-1-3-13(9-12)17(21)22/h1-5,8-9,25H,6-7,10H2,(H,19,20)(H,21,22)(H,23,24)