3,3,5-trimethylcyclohexan-1-one; 3,4,4-trimethylcyclohexan-1-one

Systemtic Name: 3,3,5-trimethylcyclohexan-1-one; 3,4,4-trimethylcyclohexan-1-one Openeye Name: 3,3,5-trimethylcyclohexanone; 3,4,4-trimethylcyclohexanone CAS Name: 3,3,5-trimethyl-1-cyclohexanone; 3,4,4-trimethyl-1-cyclohexanone IUPAC Name: 3,3,5-trimethylcyclohexan-1-one; 3,4,4-trimethylcyclohexan-1-one Traditional Name: 3,3,5-trimethylcyclohexanone; 3,4,4-trimethylcyclohexanone Formula: C18H32O2 MolecularWeight: 280.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)CC(C1)(C)C.CC1CC(=O)CCC1(C)C

Isomeric SMILES

CC1CC(=O)CC(C1)(C)C.CC1CC(=O)CCC1(C)C

InChI

InChI=1S/2C9H16O/c1-7-4-8(10)6-9(2,3)5-7;1-7-6-8(10)4-5-9(7,2)3/h2*7H,4-6H2,1-3H3