1-[4-[2,3-bis(oxidanyl)propoxy]-3-methyl-phenyl]propan-1-one

Systemtic Name: 1-[4-[2,3-bis(oxidanyl)propoxy]-3-methyl-phenyl]propan-1-one Openeye Name: 1-[4-(2,3-dihydroxypropoxy)-3-methyl-phenyl]propan-1-one CAS Name: 1-[4-(2,3-dihydroxypropoxy)-3-methylphenyl]-1-propanone IUPAC Name: 1-[4-(2,3-dihydroxypropoxy)-3-methylphenyl]propan-1-one Traditional Name: 1-(4-glyceryloxy-3-methyl-phenyl)propan-1-one Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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