5,5-dimethylcyclohexane-1,3-dione; phenol

Systemtic Name: 5,5-dimethylcyclohexane-1,3-dione; phenol Openeye Name: 5,5-dimethylcyclohexane-1,3-dione; phenol CAS Name: 5,5-dimethylcyclohexane-1,3-dione; phenol IUPAC Name: 5,5-dimethylcyclohexane-1,3-dione; phenol Traditional Name: 5,5-dimethylcyclohexane-1,3-quinone; phenol Formula: C20H24O4 MolecularWeight: 328.40216

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CC(=O)C1)C.C1=CC=C(C=C1)O.C1=CC=C(C=C1)O

Isomeric SMILES

CC1(CC(=O)CC(=O)C1)C.C1=CC=C(C=C1)O.C1=CC=C(C=C1)O

InChI

InChI=1S/C8H12O2.2C6H6O/c1-8(2)4-6(9)3-7(10)5-8;2*7-6-4-2-1-3-5-6/h3-5H2,1-2H3;2*1-5,7H