heptan-2-one; 3-methylbutan-2-one

Systemtic Name: heptan-2-one; 3-methylbutan-2-one Openeye Name: heptan-2-one; 3-methylbutan-2-one CAS Name: 2-heptanone; 3-methyl-2-butanone IUPAC Name: heptan-2-one; 3-methylbutan-2-one Traditional Name: heptan-2-one; 3-methylbutan-2-one Formula: C12H24O2 MolecularWeight: 200.31776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H14O.C5H10O/c1-3-4-5-6-7(2)8;1-4(2)5(3)6/h3-6H2,1-2H3;4H,1-3H3