1-(4-methylphenyl)sulfonylpropan-2-one; propane-1,2,3-triol

Systemtic Name: 1-(4-methylphenyl)sulfonylpropan-2-one; propane-1,2,3-triol Openeye Name: glycerol; 1-(p-tolylsulfonyl)propan-2-one CAS Name: 1-(4-methylphenyl)sulfonyl-2-propanone; propane-1,2,3-triol IUPAC Name: 1-(4-methylphenyl)sulfonylpropan-2-one; propane-1,2,3-triol Traditional Name: glycerol; 1-tosylacetone Formula: C13H20O6S MolecularWeight: 304.3593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C.C(C(CO)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C.C(C(CO)O)O

InChI

InChI=1S/C10H12O3S.C3H8O3/c1-8-3-5-10(6-4-8)14(12,13)7-9(2)11;4-1-3(6)2-5/h3-6H,7H2,1-2H3;3-6H,1-2H2