bis(chloranyl)methane; butanoate; heptane

Systemtic Name: bis(chloranyl)methane; butanoate; heptane Openeye Name: butanoate; dichloromethane; heptane CAS Name: butanoate; dichloromethane; heptane IUPAC Name: butanoate; dichloromethane; heptane Traditional Name: butyrate; dichloromethane; n-heptane Formula: C12H25Cl2O2- MolecularWeight: 272.2317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC.CCCC(=O)[O-].C(Cl)Cl

Isomeric SMILES

CCCCCCC.CCCC(=O)[O-].C(Cl)Cl

InChI

InChI=1S/C7H16.C4H8O2.CH2Cl2/c1-3-5-7-6-4-2;1-2-3-4(5)6;2-1-3/h3-7H2,1-2H3;2-3H2,1H3,(H,5,6);1H2/p-1