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

Systemtic Name: 1-[5-[2,3-bis(oxidanyl)propoxy]-2-oxidanyl-phenyl]propan-1-one Openeye Name: 1-[5-(2,3-dihydroxypropoxy)-2-hydroxy-phenyl]propan-1-one CAS Name: 1-[5-(2,3-dihydroxypropoxy)-2-hydroxyphenyl]-1-propanone IUPAC Name: 1-[5-(2,3-dihydroxypropoxy)-2-hydroxyphenyl]propan-1-one Traditional Name: 1-(5-glyceryloxy-2-hydroxy-phenyl)propan-1-one Formula: C12H16O5 MolecularWeight: 240.25244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O5/c1-2-11(15)10-5-9(3-4-12(10)16)17-7-8(14)6-13/h3-5,8,13-14,16H,2,6-7H2,1H3