5-[(E)-3-(methylamino)-3-oxidanylidene-prop-1-enyl]furan-2-sulfonic acid

Systemtic Name: 5-[(E)-3-(methylamino)-3-oxidanylidene-prop-1-enyl]furan-2-sulfonic acid Openeye Name: 5-[(E)-3-(methylamino)-3-oxo-prop-1-enyl]furan-2-sulfonic acid CAS Name: 5-[(E)-3-(methylamino)-3-oxoprop-1-enyl]-2-furansulfonic acid IUPAC Name: 5-[(E)-3-(methylamino)-3-oxoprop-1-enyl]furan-2-sulfonic acid Traditional Name: 5-[(E)-3-keto-3-(methylamino)prop-1-enyl]furan-2-sulfonic acid Formula: C8H9NO5S MolecularWeight: 231.22576

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C=CC1=CC=C(O1)S(=O)(=O)O

Isomeric SMILES

CNC(=O)/C=C/C1=CC=C(O1)S(=O)(=O)O

InChI

InChI=1S/C8H9NO5S/c1-9-7(10)4-2-6-3-5-8(14-6)15(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)/b4-2+