2-phenylcyclohexane-1,3-dione hydrate

Systemtic Name: 2-phenylcyclohexane-1,3-dione hydrate Openeye Name: 2-phenylcyclohexane-1,3-dione hydrate CAS Name: 2-phenylcyclohexane-1,3-dione hydrate IUPAC Name: 2-phenylcyclohexane-1,3-dione hydrate Traditional Name: 2-phenylcyclohexane-1,3-quinone hydrate Formula: C12H14O3 MolecularWeight: 206.23776

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)C2=CC=CC=C2.O

Isomeric SMILES

C1CC(=O)C(C(=O)C1)C2=CC=CC=C2.O

InChI

InChI=1S/C12H12O2.H2O/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9;/h1-3,5-6,12H,4,7-8H2;1H2