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

Systemtic Name: 1-[4-[2,3-bis(oxidanyl)propoxy]phenyl]butan-1-one Openeye Name: 1-[4-(2,3-dihydroxypropoxy)phenyl]butan-1-one CAS Name: 1-[4-(2,3-dihydroxypropoxy)phenyl]-1-butanone IUPAC Name: 1-[4-(2,3-dihydroxypropoxy)phenyl]butan-1-one Traditional Name: 1-(4-glyceryloxyphenyl)butan-1-one Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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