5-propan-2-ylcyclohexane-1,3-dione hydrate

Systemtic Name: 5-propan-2-ylcyclohexane-1,3-dione hydrate Openeye Name: 5-isopropylcyclohexane-1,3-dione hydrate CAS Name: 5-propan-2-ylcyclohexane-1,3-dione hydrate IUPAC Name: 5-propan-2-ylcyclohexane-1,3-dione hydrate Traditional Name: 5-isopropylcyclohexane-1,3-quinone hydrate Formula: C9H16O3 MolecularWeight: 172.22154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(=O)CC(=O)C1.O

Isomeric SMILES

CC(C)C1CC(=O)CC(=O)C1.O

InChI

InChI=1S/C9H14O2.H2O/c1-6(2)7-3-8(10)5-9(11)4-7;/h6-7H,3-5H2,1-2H3;1H2