2,9-dimethyl-1,10-phenanthroline hydrate dihydrochloride

Systemtic Name: 2,9-dimethyl-1,10-phenanthroline hydrate dihydrochloride Openeye Name: 2,9-dimethyl-1,10-phenanthroline hydrate dihydrochloride CAS Name: 2,9-dimethyl-1,10-phenanthroline hydrate dihydrochloride IUPAC Name: 2,9-dimethyl-1,10-phenanthroline hydrate dihydrochloride Traditional Name: 2,9-dimethyl-1,10-phenanthroline hydrate dihydrochloride Formula: C28H28Cl2N4O MolecularWeight: 507.45412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.O.Cl.Cl

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C.O.Cl.Cl

InChI

InChI=1S/2C14H12N2.2ClH.H2O/c2*1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;;;/h2*3-8H,1-2H3;2*1H;1H2