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

Systemtic Name: benzaldehyde; 5,5-dimethylcyclohexane-1,3-dione Openeye Name: benzaldehyde; 5,5-dimethylcyclohexane-1,3-dione CAS Name: benzaldehyde; 5,5-dimethylcyclohexane-1,3-dione IUPAC Name: benzaldehyde; 5,5-dimethylcyclohexane-1,3-dione Traditional Name: benzaldehyde; 5,5-dimethylcyclohexane-1,3-quinone Formula: C15H18O3 MolecularWeight: 246.30162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12O2.C7H6O/c1-8(2)4-6(9)3-7(10)5-8;8-6-7-4-2-1-3-5-7/h3-5H2,1-2H3;1-6H