2-(3-carboxyphenyl)-6-[2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfanylethyl]benzoic acid

Systemtic Name: 2-(3-carboxyphenyl)-6-[2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfanylethyl]benzoic acid Openeye Name: 2-(3-carboxyphenyl)-6-[2-[2-(hydroxyamino)-2-oxo-ethyl]sulfanylethyl]benzoic acid CAS Name: 2-(3-carboxyphenyl)-6-[2-[[2-(hydroxyamino)-2-oxoethyl]thio]ethyl]benzoic acid IUPAC Name: 2-(3-carboxyphenyl)-6-[2-[2-(hydroxyamino)-2-oxoethyl]sulfanylethyl]benzoic acid Traditional Name: 2-(3-carboxyphenyl)-6-[2-[[2-(hydroxyamino)-2-keto-ethyl]thio]ethyl]benzoic acid Formula: C18H17NO6S MolecularWeight: 375.39568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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