1,2-bis(chloranyl)ethane; 1-chloranyl-3-methyl-benzene; heptan-3-one

Systemtic Name: 1,2-bis(chloranyl)ethane; 1-chloranyl-3-methyl-benzene; heptan-3-one Openeye Name: 1-chloro-3-methyl-benzene; 1,2-dichloroethane; heptan-3-one CAS Name: 1-chloro-3-methylbenzene; 1,2-dichloroethane; 3-heptanone IUPAC Name: 1-chloro-3-methylbenzene; 1,2-dichloroethane; heptan-3-one Traditional Name: 1-chloro-3-methyl-benzene; 1,2-dichloroethane; heptan-3-one Formula: C16H25Cl3O MolecularWeight: 339.7281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CC.CC1=CC(=CC=C1)Cl.C(CCl)Cl

Isomeric SMILES

CCCCC(=O)CC.CC1=CC(=CC=C1)Cl.C(CCl)Cl

InChI

InChI=1S/C7H7Cl.C7H14O.C2H4Cl2/c1-6-3-2-4-7(8)5-6;1-3-5-6-7(8)4-2;3-1-2-4/h2-5H,1H3;3-6H2,1-2H3;1-2H2