2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethanal hydrate

Systemtic Name: 2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethanal hydrate Openeye Name: 2-oxo-2-(2,4,6-trimethylphenyl)acetaldehyde hydrate CAS Name: 2-oxo-2-(2,4,6-trimethylphenyl)acetaldehyde hydrate IUPAC Name: 2-oxo-2-(2,4,6-trimethylphenyl)acetaldehyde hydrate Traditional Name: 2-keto-2-mesityl-acetaldehyde hydrate Formula: C11H14O3 MolecularWeight: 194.22706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O2.H2O/c1-7-4-8(2)11(9(3)5-7)10(13)6-12;/h4-6H,1-3H3;1H2