3-(phenylmethyl)cyclohexa-1,4-diene-1,2,3-triol

Systemtic Name: 3-(phenylmethyl)cyclohexa-1,4-diene-1,2,3-triol Openeye Name: 3-benzylcyclohexa-1,4-diene-1,2,3-triol CAS Name: 3-(phenylmethyl)cyclohexa-1,4-diene-1,2,3-triol IUPAC Name: 3-benzylcyclohexa-1,4-diene-1,2,3-triol Traditional Name: 3-benzylcyclohexa-1,4-diene-1,2,3-triol Formula: C13H14O3 MolecularWeight: 218.24846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C(=C1O)O)(CC2=CC=CC=C2)O

Isomeric SMILES

C1C=CC(C(=C1O)O)(CC2=CC=CC=C2)O

InChI

InChI=1S/C13H14O3/c14-11-7-4-8-13(16,12(11)15)9-10-5-2-1-3-6-10/h1-6,8,14-16H,7,9H2