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

Systemtic Name: 1-[5-[2,3-bis(oxidanyl)propoxy]-2-methyl-phenyl]propan-1-one Openeye Name: 1-[5-(2,3-dihydroxypropoxy)-2-methyl-phenyl]propan-1-one CAS Name: 1-[5-(2,3-dihydroxypropoxy)-2-methylphenyl]-1-propanone IUPAC Name: 1-[5-(2,3-dihydroxypropoxy)-2-methylphenyl]propan-1-one Traditional Name: 1-(5-glyceryloxy-2-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)OCC(CO)O)C

Isomeric SMILES

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

InChI

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