N-[(2R)-3-methyl-1-oxidanylidene-butan-2-yl]-2-phenyl-ethanamide; sulfurous acid

Systemtic Name: N-[(2R)-3-methyl-1-oxidanylidene-butan-2-yl]-2-phenyl-ethanamide; sulfurous acid Openeye Name: N-[(1R)-1-formyl-2-methyl-propyl]-2-phenyl-acetamide; sulfurous acid CAS Name: N-[(2R)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide; sulfurous acid IUPAC Name: N-[(2R)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide; sulfurous acid Traditional Name: N-[(1R)-1-formyl-2-methyl-propyl]-2-phenyl-acetamide; sulfurous acid Formula: C13H19NO5S MolecularWeight: 301.35866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C=O)NC(=O)CC1=CC=CC=C1.OS(=O)O

Isomeric SMILES

CC(C)[C@H](C=O)NC(=O)CC1=CC=CC=C1.OS(=O)O

InChI

InChI=1S/C13H17NO2.H2O3S/c1-10(2)12(9-15)14-13(16)8-11-6-4-3-5-7-11;1-4(2)3/h3-7,9-10,12H,8H2,1-2H3,(H,14,16);(H2,1,2,3)/t12-;/m0./s1