2-[3-(hydroxymethylamino)-3-oxidanylidene-propyl]sulfanylbenzoic acid

Systemtic Name: 2-[3-(hydroxymethylamino)-3-oxidanylidene-propyl]sulfanylbenzoic acid Openeye Name: 2-[3-(hydroxymethylamino)-3-oxo-propyl]sulfanylbenzoic acid CAS Name: 2-[[3-(hydroxymethylamino)-3-oxopropyl]thio]benzoic acid IUPAC Name: 2-[3-(hydroxymethylamino)-3-oxopropyl]sulfanylbenzoic acid Traditional Name: 2-[[3-keto-3-(methylolamino)propyl]thio]benzoic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCCC(=O)NCO

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCCC(=O)NCO

InChI

InChI=1S/C11H13NO4S/c13-7-12-10(14)5-6-17-9-4-2-1-3-8(9)11(15)16/h1-4,13H,5-7H2,(H,12,14)(H,15,16)