2-(3,5-dioxaldehydoylphenyl)-2-oxidanylidene-ethanal trihydrate

Systemtic Name: 2-(3,5-dioxaldehydoylphenyl)-2-oxidanylidene-ethanal trihydrate Openeye Name: 2-(3,5-dioxaldehydoylphenyl)-2-oxo-acetaldehyde trihydrate CAS Name: 2-(3,5-dioxaldehydoylphenyl)-2-oxoacetaldehyde trihydrate IUPAC Name: 2-(3,5-dioxaldehydoylphenyl)-2-oxoacetaldehyde trihydrate Traditional Name: 2-(3,5-diglyoxyloylphenyl)-2-keto-acetaldehyde trihydrate Formula: C12H12O9 MolecularWeight: 300.21828

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)C=O)C(=O)C=O)C(=O)C=O.O.O.O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)C=O)C(=O)C=O)C(=O)C=O.O.O.O

InChI

InChI=1S/C12H6O6.3H2O/c13-4-10(16)7-1-8(11(17)5-14)3-9(2-7)12(18)6-15;;;/h1-6H;3*1H2