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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=CC=C1OCC(CO)O

Isomeric SMILES

CCCC(=O)C1=CC=CC=C1OCC(CO)O

InChI

InChI=1S/C13H18O4/c1-2-5-12(16)11-6-3-4-7-13(11)17-9-10(15)8-14/h3-4,6-7,10,14-15H,2,5,8-9H2,1H3