3-(hydroxymethyl)-6-methyl-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(C=C1)CO)O

Isomeric SMILES

CC1=CC(=O)C(=C(C=C1)CO)O

InChI

InChI=1S/C9H10O3/c1-6-2-3-7(5-10)9(12)8(11)4-6/h2-4,10H,5H2,1H3,(H,11,12)