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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C.CC1=CC=CC=C1Cl.CC(Cl)Cl

Isomeric SMILES

CCCCCC(=O)C.CC1=CC=CC=C1Cl.CC(Cl)Cl

InChI

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