2-quinolin-4-ylpropanedial trihydrate

Systemtic Name: 2-quinolin-4-ylpropanedial trihydrate Openeye Name: 2-(4-quinolyl)propanedial trihydrate CAS Name: 2-(4-quinolinyl)propanedial trihydrate IUPAC Name: 2-quinolin-4-ylpropanedial trihydrate Traditional Name: 2-(4-quinolyl)malonaldehyde trihydrate Formula: C24H24N2O7 MolecularWeight: 452.45656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)C(C=O)C=O.C1=CC=C2C(=C1)C(=CC=N2)C(C=O)C=O.O.O.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)C(C=O)C=O.C1=CC=C2C(=C1)C(=CC=N2)C(C=O)C=O.O.O.O

InChI

InChI=1S/2C12H9NO2.3H2O/c2*14-7-9(8-15)10-5-6-13-12-4-2-1-3-11(10)12;;;/h2*1-9H;3*1H2