2,6-dimethylheptan-4-one; methylbenzene; 4-methylpentan-2-one

Systemtic Name: 2,6-dimethylheptan-4-one; methylbenzene; 4-methylpentan-2-one Openeye Name: 2,6-dimethylheptan-4-one; 4-methylpentan-2-one; toluene CAS Name: 2,6-dimethyl-4-heptanone; 4-methyl-2-pentanone; toluene IUPAC Name: 2,6-dimethylheptan-4-one; 4-methylpentan-2-one; toluene Traditional Name: 2,6-dimethylheptan-4-one; 4-methylpentan-2-one; toluene Formula: C22H38O2 MolecularWeight: 334.53592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18O.C7H8.C6H12O/c1-7(2)5-9(10)6-8(3)4;1-7-5-3-2-4-6-7;1-5(2)4-6(3)7/h7-8H,5-6H2,1-4H3;2-6H,1H3;5H,4H2,1-3H3