hexane; propan-2-one; hydrate

Systemtic Name: hexane; propan-2-one; hydrate Openeye Name: acetone; hexane; hydrate CAS Name: hexane; 2-propanone; hydrate IUPAC Name: hexane; propan-2-one; hydrate Traditional Name: acetone; n-hexane; hydrate Formula: C12H28O3 MolecularWeight: 220.34892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14.2C3H6O.H2O/c1-3-5-6-4-2;2*1-3(2)4;/h3-6H2,1-2H3;2*1-2H3;1H2