bis(chloranyl)methane; ethanenitrile; ethyl ethanoate; hexane

Systemtic Name: bis(chloranyl)methane; ethanenitrile; ethyl ethanoate; hexane Openeye Name: acetonitrile; dichloromethane; ethyl acetate; hexane CAS Name: acetic acid ethyl ester; acetonitrile; dichloromethane; hexane IUPAC Name: acetonitrile; dichloromethane; ethyl acetate; hexane Traditional Name: acetic acid ethyl ester; acetonitrile; dichloromethane; n-hexane Formula: C13H27Cl2NO2 MolecularWeight: 300.26498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.CCOC(=O)C.CC#N.C(Cl)Cl

Isomeric SMILES

CCCCCC.CCOC(=O)C.CC#N.C(Cl)Cl

InChI

InChI=1S/C6H14.C4H8O2.C2H3N.CH2Cl2/c1-3-5-6-4-2;1-3-6-4(2)5;1-2-3;2-1-3/h3-6H2,1-2H3;3H2,1-2H3;1H3;1H2