2-(4-ethylphenyl)-2-oxidanylidene-ethanal hydrate

Systemtic Name: 2-(4-ethylphenyl)-2-oxidanylidene-ethanal hydrate Openeye Name: 2-(4-ethylphenyl)-2-oxo-acetaldehyde hydrate CAS Name: 2-(4-ethylphenyl)-2-oxoacetaldehyde hydrate IUPAC Name: 2-(4-ethylphenyl)-2-oxoacetaldehyde hydrate Traditional Name: 2-(4-ethylphenyl)-2-keto-acetaldehyde hydrate Formula: C10H12O3 MolecularWeight: 180.20048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C=O.O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C=O.O

InChI

InChI=1S/C10H10O2.H2O/c1-2-8-3-5-9(6-4-8)10(12)7-11;/h3-7H,2H2,1H3;1H2