2,9-dimethyl-1,10-phenanthroline-5,6-dione hydrate

Systemtic Name: 2,9-dimethyl-1,10-phenanthroline-5,6-dione hydrate Openeye Name: 2,9-dimethyl-1,10-phenanthroline-5,6-dione hydrate CAS Name: 2,9-dimethyl-1,10-phenanthroline-5,6-dione hydrate IUPAC Name: 2,9-dimethyl-1,10-phenanthroline-5,6-dione hydrate Traditional Name: 2,9-dimethyl-1,10-phenanthroline-5,6-quinone hydrate Formula: C14H12N2O3 MolecularWeight: 256.25668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=O)C(=O)C3=C2N=C(C=C3)C.O

Isomeric SMILES

CC1=NC2=C(C=C1)C(=O)C(=O)C3=C2N=C(C=C3)C.O

InChI

InChI=1S/C14H10N2O2.H2O/c1-7-3-5-9-11(15-7)12-10(14(18)13(9)17)6-4-8(2)16-12;/h3-6H,1-2H3;1H2