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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO5S/c1-11(2,3)12-9(13)6-4-8-5-7-10(17-8)18(14,15)16/h5,7H,4,6H2,1-3H3,(H,12,13)(H,14,15,16)