2,6-dimethylheptan-4-one; propan-2-one

Systemtic Name: 2,6-dimethylheptan-4-one; propan-2-one Openeye Name: acetone; 2,6-dimethylheptan-4-one CAS Name: 2,6-dimethyl-4-heptanone; 2-propanone IUPAC Name: 2,6-dimethylheptan-4-one; propan-2-one Traditional Name: acetone; 2,6-dimethylheptan-4-one Formula: C12H24O2 MolecularWeight: 200.31776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)CC(C)C.CC(=O)C

Isomeric SMILES

CC(C)CC(=O)CC(C)C.CC(=O)C

InChI

InChI=1S/C9H18O.C3H6O/c1-7(2)5-9(10)6-8(3)4;1-3(2)4/h7-8H,5-6H2,1-4H3;1-2H3