4,4-bis(chloranyl)butan-2-one hydrate

Systemtic Name: 4,4-bis(chloranyl)butan-2-one hydrate Openeye Name: 4,4-dichlorobutan-2-one hydrate CAS Name: 4,4-dichloro-2-butanone hydrate IUPAC Name: 4,4-dichlorobutan-2-one hydrate Traditional Name: 4,4-dichlorobutan-2-one hydrate Formula: C8H14Cl4O3 MolecularWeight: 300.00696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(Cl)Cl.CC(=O)CC(Cl)Cl.O

Isomeric SMILES

CC(=O)CC(Cl)Cl.CC(=O)CC(Cl)Cl.O

InChI

InChI=1S/2C4H6Cl2O.H2O/c2*1-3(7)2-4(5)6;/h2*4H,2H2,1H3;1H2