2-(3-chloranyl-4-methyl-phenyl)-2-oxidanylidene-ethanal hydrate

Systemtic Name: 2-(3-chloranyl-4-methyl-phenyl)-2-oxidanylidene-ethanal hydrate Openeye Name: 2-(3-chloro-4-methyl-phenyl)-2-oxo-acetaldehyde hydrate CAS Name: 2-(3-chloro-4-methylphenyl)-2-oxoacetaldehyde hydrate IUPAC Name: 2-(3-chloro-4-methylphenyl)-2-oxoacetaldehyde hydrate Traditional Name: 2-(3-chloro-4-methyl-phenyl)-2-keto-acetaldehyde hydrate Formula: C9H9ClO3 MolecularWeight: 200.61896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C=O)Cl.O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C=O)Cl.O

InChI

InChI=1S/C9H7ClO2.H2O/c1-6-2-3-7(4-8(6)10)9(12)5-11;/h2-5H,1H3;1H2