1,7-dihydro-1,7-phenanthroline-4,10-dione hydrate

Systemtic Name: 1,7-dihydro-1,7-phenanthroline-4,10-dione hydrate Openeye Name: 1,7-dihydro-1,7-phenanthroline-4,10-dione hydrate CAS Name: 1,7-dihydro-1,7-phenanthroline-4,10-dione hydrate IUPAC Name: 1,7-dihydro-1,7-phenanthroline-4,10-dione hydrate Traditional Name: 1,7-dihydro-1,7-phenanthroline-4,10-quinone hydrate Formula: C12H10N2O3 MolecularWeight: 230.2194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=O)C=CN2)C3=C1C(=O)C=CN3.O

Isomeric SMILES

C1=CC2=C(C(=O)C=CN2)C3=C1C(=O)C=CN3.O

InChI

InChI=1S/C12H8N2O2.H2O/c15-9-3-6-14-12-7(9)1-2-8-11(12)10(16)4-5-13-8;/h1-6H,(H,13,16)(H,14,15);1H2