ethyl 3,3-bis(chloranyl)propanoate; heptane

Systemtic Name: ethyl 3,3-bis(chloranyl)propanoate; heptane Openeye Name: ethyl 3,3-dichloropropanoate; heptane CAS Name: 3,3-dichloropropanoic acid ethyl ester; heptane IUPAC Name: ethyl 3,3-dichloropropanoate; heptane Traditional Name: 3,3-dichloropropionic acid ethyl ester; n-heptane Formula: C12H24Cl2O2 MolecularWeight: 271.22376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC.CCOC(=O)CC(Cl)Cl

Isomeric SMILES

CCCCCCC.CCOC(=O)CC(Cl)Cl

InChI

InChI=1S/C7H16.C5H8Cl2O2/c1-3-5-7-6-4-2;1-2-9-5(8)3-4(6)7/h3-7H2,1-2H3;4H,2-3H2,1H3