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

Systemtic Name: 5-[(E)-3-(2-methylpropylamino)-3-oxidanylidene-prop-1-enyl]furan-2-sulfonic acid Openeye Name: 5-[(E)-3-(isobutylamino)-3-oxo-prop-1-enyl]furan-2-sulfonic acid CAS Name: 5-[(E)-3-(2-methylpropylamino)-3-oxoprop-1-enyl]-2-furansulfonic acid IUPAC Name: 5-[(E)-3-(2-methylpropylamino)-3-oxoprop-1-enyl]furan-2-sulfonic acid Traditional Name: 5-[(E)-3-(isobutylamino)-3-keto-prop-1-enyl]furan-2-sulfonic acid Formula: C11H15NO5S MolecularWeight: 273.3055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO5S/c1-8(2)7-12-10(13)5-3-9-4-6-11(17-9)18(14,15)16/h3-6,8H,7H2,1-2H3,(H,12,13)(H,14,15,16)/b5-3+