3-(hydroxymethyl)-4,4-dimethoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 3-(hydroxymethyl)-4,4-dimethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 3-(hydroxymethyl)-4,4-dimethoxy-cyclohexa-2,5-dien-1-one CAS Name: 3-(hydroxymethyl)-4,4-dimethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 3-(hydroxymethyl)-4,4-dimethoxycyclohexa-2,5-dien-1-one Traditional Name: 4,4-dimethoxy-3-methylol-cyclohexa-2,5-dien-1-one Formula: C9H12O4 MolecularWeight: 184.18918

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C=CC(=O)C=C1CO)OC

Isomeric SMILES

COC1(C=CC(=O)C=C1CO)OC

InChI

InChI=1S/C9H12O4/c1-12-9(13-2)4-3-8(11)5-7(9)6-10/h3-5,10H,6H2,1-2H3