ethanoic acid; 2-methylcyclohexane-1,3-dione

Systemtic Name: ethanoic acid; 2-methylcyclohexane-1,3-dione Openeye Name: acetic acid; 2-methylcyclohexane-1,3-dione CAS Name: acetic acid; 2-methylcyclohexane-1,3-dione IUPAC Name: acetic acid; 2-methylcyclohexane-1,3-dione Traditional Name: acetic acid; 2-methylcyclohexane-1,3-quinone Formula: C9H14O4 MolecularWeight: 186.20506

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)CCCC1=O.CC(=O)O

Isomeric SMILES

CC1C(=O)CCCC1=O.CC(=O)O

InChI

InChI=1S/C7H10O2.C2H4O2/c1-5-6(8)3-2-4-7(5)9;1-2(3)4/h5H,2-4H2,1H3;1H3,(H,3,4)