copper; oxidanium; ditert-butyl hydrogen phosphate; 1,10-phenanthroline-1,10-diide

Systemtic Name: copper; oxidanium; ditert-butyl hydrogen phosphate; 1,10-phenanthroline-1,10-diide Openeye Name: copper; oxonium; ditert-butyl hydrogen phosphate; 1,10-phenanthroline-1,10-diide CAS Name: copper; oxonium; ditert-butyl hydrogen phosphate; 1,10-phenanthroline-1,10-diide IUPAC Name: copper; oxidanium; ditert-butyl hydrogen phosphate; 1,10-phenanthroline-1,10-diide Traditional Name: cupric; oxonium; ditert-butyl hydrogen phosphate; 1,10-phenanthroline-1,10-diide Formula: C28H49CuN2O9P2+ MolecularWeight: 683.190182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OP(=O)(O)OC(C)(C)C.CC(C)(C)OP(=O)(O)OC(C)(C)C.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.[OH3+].[Cu+2]

Isomeric SMILES

CC(C)(C)OP(=O)(O)OC(C)(C)C.CC(C)(C)OP(=O)(O)OC(C)(C)C.C1=C[N-]C2=C3C(=CC=C[N-]3)C=CC2=C1.[OH3+].[Cu+2]

InChI

InChI=1S/C12H8N2.2C8H19O4P.Cu.H2O/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-7(2,3)11-13(9,10)12-8(4,5)6;;/h1-8H;2*1-6H3,(H,9,10);;1H2/q-2;;;+2;/p+1