3-(5-diethoxyphosphorylpent-1-ynyl)-1,10-phenanthroline

Systemtic Name: 3-(5-diethoxyphosphorylpent-1-ynyl)-1,10-phenanthroline Openeye Name: 3-(5-diethoxyphosphorylpent-1-ynyl)-1,10-phenanthroline CAS Name: 3-(5-diethoxyphosphorylpent-1-ynyl)-1,10-phenanthroline IUPAC Name: 3-(5-diethoxyphosphorylpent-1-ynyl)-1,10-phenanthroline Traditional Name: 3-(5-diethoxyphosphorylpent-1-ynyl)-1,10-phenanthroline Formula: C21H23N2O3P MolecularWeight: 382.392681

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCC#CC1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1)OCC

Isomeric SMILES

CCOP(=O)(CCCC#CC1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1)OCC

InChI

InChI=1S/C21H23N2O3P/c1-3-25-27(24,26-4-2)14-7-5-6-9-17-15-19-12-11-18-10-8-13-22-20(18)21(19)23-16-17/h8,10-13,15-16H,3-5,7,14H2,1-2H3