3-(hydroxymethyl)-4,6-dimethyl-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 3-(hydroxymethyl)-4,6-dimethyl-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione Openeye Name: 5-hydroxy-3-(hydroxymethyl)-4,6-dimethyl-1,2-benzoquinone CAS Name: 5-hydroxy-3-(hydroxymethyl)-4,6-dimethylcyclohexa-3,5-diene-1,2-dione IUPAC Name: 5-hydroxy-3-(hydroxymethyl)-4,6-dimethylcyclohexa-3,5-diene-1,2-dione Traditional Name: 4-hydroxy-3,5-dimethyl-6-methylol-o-benzoquinone Formula: C9H10O4 MolecularWeight: 182.1733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=O)C(=C1O)C)CO

Isomeric SMILES

CC1=C(C(=O)C(=O)C(=C1O)C)CO

InChI

InChI=1S/C9H10O4/c1-4-6(3-10)9(13)8(12)5(2)7(4)11/h10-11H,3H2,1-2H3