2-[4-[2,3-bis(oxidanyl)propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[2,3-bis(oxidanyl)propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-(2,3-dihydroxypropoxy)phenyl]acetonitrile CAS Name: 2-[4-(2,3-dihydroxypropoxy)phenyl]acetonitrile IUPAC Name: 2-[4-(2,3-dihydroxypropoxy)phenyl]acetonitrile Traditional Name: 2-(4-glyceryloxyphenyl)acetonitrile Formula: C11H13NO3 MolecularWeight: 207.22582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)OCC(CO)O

Isomeric SMILES

C1=CC(=CC=C1CC#N)OCC(CO)O

InChI

InChI=1S/C11H13NO3/c12-6-5-9-1-3-11(4-2-9)15-8-10(14)7-13/h1-4,10,13-14H,5,7-8H2