2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethanal hydrate

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethanal hydrate Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-oxo-acetaldehyde hydrate CAS Name: 2-(1,3-benzodioxol-5-yl)-2-oxoacetaldehyde hydrate IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-oxoacetaldehyde hydrate Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-keto-acetaldehyde hydrate Formula: C9H8O5 MolecularWeight: 196.15682

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C=O.O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)C=O.O

InChI

InChI=1S/C9H6O4.H2O/c10-4-7(11)6-1-2-8-9(3-6)13-5-12-8;/h1-4H,5H2;1H2