copper(1+); 1,10-phenanthroline-1,10-diide; (phenylmethyl)phosphonic acid

Systemtic Name: copper(1+); 1,10-phenanthroline-1,10-diide; (phenylmethyl)phosphonic acid Openeye Name: cuprous; benzylphosphonic acid; 1,10-phenanthroline-1,10-diide CAS Name: copper(1+); 1,10-phenanthroline-1,10-diide; (phenylmethyl)phosphonic acid IUPAC Name: benzylphosphonic acid; copper(1+); 1,10-phenanthroline-1,10-diide Traditional Name: cuprous; benzylphosphonic acid; 1,10-phenanthroline-1,10-diide Formula: C31H25CuN4O3P-3 MolecularWeight: 596.074961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CP(=O)(O)O.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.[Cu+]

Isomeric SMILES

C1=CC=C(C=C1)CP(=O)(O)O.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.[Cu+]

InChI

InChI=1S/2C12H8N2.C7H9O3P.Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-11(9,10)6-7-4-2-1-3-5-7;/h2*1-8H;1-5H,6H2,(H2,8,9,10);/q2*-2;;+1