heptan-3-one; 5-methylhexan-2-one

Systemtic Name: heptan-3-one; 5-methylhexan-2-one Openeye Name: heptan-3-one; 5-methylhexan-2-one CAS Name: 3-heptanone; 5-methyl-2-hexanone IUPAC Name: heptan-3-one; 5-methylhexan-2-one Traditional Name: heptan-3-one; 5-methylhexan-2-one Formula: C14H28O2 MolecularWeight: 228.37092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H14O/c1-6(2)4-5-7(3)8;1-3-5-6-7(8)4-2/h6H,4-5H2,1-3H3;3-6H2,1-2H3