2-methoxy-4-methyl-3-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-methoxy-4-methyl-3-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-hydroxy-2-methoxy-4-methyl-cyclohepta-2,4,6-trien-1-one CAS Name: 3-hydroxy-2-methoxy-4-methyl-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-hydroxy-2-methoxy-4-methylcyclohepta-2,4,6-trien-1-one Traditional Name: 3-hydroxy-2-methoxy-4-methyl-cyclohepta-2,4,6-trien-1-one Formula: C9H10O3 MolecularWeight: 166.1739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=O)C(=C1O)OC

Isomeric SMILES

CC1=CC=CC(=O)C(=C1O)OC

InChI

InChI=1S/C9H10O3/c1-6-4-3-5-7(10)9(12-2)8(6)11/h3-5,11H,1-2H3