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

Systemtic Name: 5-[3-(2-methylpropylamino)-3-oxidanylidene-propyl]furan-2-sulfonic acid Openeye Name: 5-[3-(isobutylamino)-3-oxo-propyl]furan-2-sulfonic acid CAS Name: 5-[3-(2-methylpropylamino)-3-oxopropyl]-2-furansulfonic acid IUPAC Name: 5-[3-(2-methylpropylamino)-3-oxopropyl]furan-2-sulfonic acid Traditional Name: 5-[3-(isobutylamino)-3-keto-propyl]furan-2-sulfonic acid Formula: C11H17NO5S MolecularWeight: 275.32138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO5S/c1-8(2)7-12-10(13)5-3-9-4-6-11(17-9)18(14,15)16/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)(H,14,15,16)