1-[2-[2,3-bis(oxidanyl)propoxy]-5-methyl-phenyl]propan-1-one

Systemtic Name: 1-[2-[2,3-bis(oxidanyl)propoxy]-5-methyl-phenyl]propan-1-one Openeye Name: 1-[2-(2,3-dihydroxypropoxy)-5-methyl-phenyl]propan-1-one CAS Name: 1-[2-(2,3-dihydroxypropoxy)-5-methylphenyl]-1-propanone IUPAC Name: 1-[2-(2,3-dihydroxypropoxy)-5-methylphenyl]propan-1-one Traditional Name: 1-(2-glyceryloxy-5-methyl-phenyl)propan-1-one Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)C)OCC(CO)O

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)C)OCC(CO)O

InChI

InChI=1S/C13H18O4/c1-3-12(16)11-6-9(2)4-5-13(11)17-8-10(15)7-14/h4-6,10,14-15H,3,7-8H2,1-2H3