2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethanal hydrate

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethanal hydrate Openeye Name: 2-(3,4-dimethoxyphenyl)-2-oxo-acetaldehyde hydrate CAS Name: 2-(3,4-dimethoxyphenyl)-2-oxoacetaldehyde hydrate IUPAC Name: 2-(3,4-dimethoxyphenyl)-2-oxoacetaldehyde hydrate Traditional Name: 2-(3,4-dimethoxyphenyl)-2-keto-acetaldehyde hydrate Formula: C10H12O5 MolecularWeight: 212.19928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=O)OC.O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C=O)OC.O

InChI

InChI=1S/C10H10O4.H2O/c1-13-9-4-3-7(8(12)6-11)5-10(9)14-2;/h3-6H,1-2H3;1H2