2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid; (E)-5-oxidanylidenehex-2-enamide; propan-2-one

Systemtic Name: 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid; (E)-5-oxidanylidenehex-2-enamide; propan-2-one Openeye Name: acetone; 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid; (E)-5-oxohex-2-enamide CAS Name: 2-methyl-2-(1-oxoprop-2-enylamino)-1-propanesulfonic acid; (E)-5-oxo-2-hexenamide; 2-propanone IUPAC Name: 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid; (E)-5-oxohex-2-enamide; propan-2-one Traditional Name: acetone; 2-acrylamido-2-methyl-propane-1-sulfonic acid; (E)-5-ketohex-2-enamide Formula: C16H28N2O7S MolecularWeight: 392.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C.CC(=O)CC=CC(=O)N.CC(C)(CS(=O)(=O)O)NC(=O)C=C

Isomeric SMILES

CC(=O)C.CC(=O)C/C=C/C(=O)N.CC(C)(CS(=O)(=O)O)NC(=O)C=C

InChI

InChI=1S/C7H13NO4S.C6H9NO2.C3H6O/c1-4-6(9)8-7(2,3)5-13(10,11)12;1-5(8)3-2-4-6(7)9;1-3(2)4/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);2,4H,3H2,1H3,(H2,7,9);1-2H3/b;4-2+;