4-butyl-2-(hydroxymethyl)-2,5-dimethyl-cyclopent-4-ene-1,3-dione

Systemtic Name: 4-butyl-2-(hydroxymethyl)-2,5-dimethyl-cyclopent-4-ene-1,3-dione Openeye Name: 4-butyl-2-(hydroxymethyl)-2,5-dimethyl-cyclopent-4-ene-1,3-dione CAS Name: 4-butyl-2-(hydroxymethyl)-2,5-dimethylcyclopent-4-ene-1,3-dione IUPAC Name: 4-butyl-2-(hydroxymethyl)-2,5-dimethylcyclopent-4-ene-1,3-dione Traditional Name: 4-butyl-2,5-dimethyl-2-methylol-cyclopent-4-ene-1,3-quinone Formula: C12H18O3 MolecularWeight: 210.26952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)C(C1=O)(C)CO)C

Isomeric SMILES

CCCCC1=C(C(=O)C(C1=O)(C)CO)C

InChI

InChI=1S/C12H18O3/c1-4-5-6-9-8(2)10(14)12(3,7-13)11(9)15/h13H,4-7H2,1-3H3