2-(3,5-dimethoxyphenyl)-2-oxidanylidene-ethanal dihydrate

Systemtic Name: 2-(3,5-dimethoxyphenyl)-2-oxidanylidene-ethanal dihydrate Openeye Name: 2-(3,5-dimethoxyphenyl)-2-oxo-acetaldehyde dihydrate CAS Name: 2-(3,5-dimethoxyphenyl)-2-oxoacetaldehyde dihydrate IUPAC Name: 2-(3,5-dimethoxyphenyl)-2-oxoacetaldehyde dihydrate Traditional Name: 2-(3,5-dimethoxyphenyl)-2-keto-acetaldehyde dihydrate Formula: C10H14O6 MolecularWeight: 230.21456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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