5-[3-(dimethylamino)-3-oxidanylidene-propyl]furan-2-sulfonic acid

Systemtic Name: 5-[3-(dimethylamino)-3-oxidanylidene-propyl]furan-2-sulfonic acid Openeye Name: 5-[3-(dimethylamino)-3-oxo-propyl]furan-2-sulfonic acid CAS Name: 5-[3-(dimethylamino)-3-oxopropyl]-2-furansulfonic acid IUPAC Name: 5-[3-(dimethylamino)-3-oxopropyl]furan-2-sulfonic acid Traditional Name: 5-[3-(dimethylamino)-3-keto-propyl]furan-2-sulfonic acid Formula: C9H13NO5S MolecularWeight: 247.26822

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC1=CC=C(O1)S(=O)(=O)O

Isomeric SMILES

CN(C)C(=O)CCC1=CC=C(O1)S(=O)(=O)O

InChI

InChI=1S/C9H13NO5S/c1-10(2)8(11)5-3-7-4-6-9(15-7)16(12,13)14/h4,6H,3,5H2,1-2H3,(H,12,13,14)