5-ethylcyclohexane-1,3-dione hydrate

Systemtic Name: 5-ethylcyclohexane-1,3-dione hydrate Openeye Name: 5-ethylcyclohexane-1,3-dione hydrate CAS Name: 5-ethylcyclohexane-1,3-dione hydrate IUPAC Name: 5-ethylcyclohexane-1,3-dione hydrate Traditional Name: 5-ethylcyclohexane-1,3-quinone hydrate Formula: C8H14O3 MolecularWeight: 158.19496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)CC(=O)C1.O

Isomeric SMILES

CCC1CC(=O)CC(=O)C1.O

InChI

InChI=1S/C8H12O2.H2O/c1-2-6-3-7(9)5-8(10)4-6;/h6H,2-5H2,1H3;1H2