2-[3,5-bis(hydroxymethyl)-4-oxidanyl-phenyl]ethanenitrile

Systemtic Name: 2-[3,5-bis(hydroxymethyl)-4-oxidanyl-phenyl]ethanenitrile Openeye Name: 2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]acetonitrile CAS Name: 2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]acetonitrile IUPAC Name: 2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]acetonitrile Traditional Name: 2-(4-hydroxy-3,5-dimethylol-phenyl)acetonitrile Formula: C10H11NO3 MolecularWeight: 193.19924

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1CO)O)CO)CC#N

Isomeric SMILES

C1=C(C=C(C(=C1CO)O)CO)CC#N

InChI

InChI=1S/C10H11NO3/c11-2-1-7-3-8(5-12)10(14)9(4-7)6-13/h3-4,12-14H,1,5-6H2