4-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethoxy]benzenesulfonic acid

Systemtic Name: 4-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethoxy]benzenesulfonic acid Openeye Name: 4-[2-(2-furylmethylamino)-2-oxo-ethoxy]benzenesulfonic acid CAS Name: 4-[2-(2-furanylmethylamino)-2-oxoethoxy]benzenesulfonic acid IUPAC Name: 4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzenesulfonic acid Traditional Name: 4-[2-(2-furfurylamino)-2-keto-ethoxy]besylic acid Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)COC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1=COC(=C1)CNC(=O)COC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C13H13NO6S/c15-13(14-8-11-2-1-7-19-11)9-20-10-3-5-12(6-4-10)21(16,17)18/h1-7H,8-9H2,(H,14,15)(H,16,17,18)