2,6-dimethylheptan-4-one; heptan-3-one

Systemtic Name: 2,6-dimethylheptan-4-one; heptan-3-one Openeye Name: 2,6-dimethylheptan-4-one; heptan-3-one CAS Name: 2,6-dimethyl-4-heptanone; 3-heptanone IUPAC Name: 2,6-dimethylheptan-4-one; heptan-3-one Traditional Name: 2,6-dimethylheptan-4-one; heptan-3-one Formula: C16H32O2 MolecularWeight: 256.42408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18O.C7H14O/c1-7(2)5-9(10)6-8(3)4;1-3-5-6-7(8)4-2/h7-8H,5-6H2,1-4H3;3-6H2,1-2H3