benzaldehyde; 3,5,5-trimethylcyclohex-2-en-1-one

Systemtic Name: benzaldehyde; 3,5,5-trimethylcyclohex-2-en-1-one Openeye Name: benzaldehyde; 3,5,5-trimethylcyclohex-2-en-1-one CAS Name: benzaldehyde; 3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: benzaldehyde; 3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: benzaldehyde; 3,5,5-trimethylcyclohex-2-en-1-one Formula: C16H20O2 MolecularWeight: 244.3288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14O.C7H6O/c1-7-4-8(10)6-9(2,3)5-7;8-6-7-4-2-1-3-5-7/h4H,5-6H2,1-3H3;1-6H