ethanenitrile; molybdenum(2+); 1-oxidaniumylethylideneoxidanium; 1,10-phenanthroline

Systemtic Name: ethanenitrile; molybdenum(2+); 1-oxidaniumylethylideneoxidanium; 1,10-phenanthroline Openeye Name: acetonitrile; molybdenum(2+); 1-oxonioethylideneoxonium; 1,10-phenanthroline CAS Name: acetonitrile; molybdenum(2+); 1-oxonioethylideneoxonium; 1,10-phenanthroline IUPAC Name: acetonitrile; molybdenum(2+); 1-oxonioethylideneoxidanium; 1,10-phenanthroline Traditional Name: acetonitrile; molybdenum(2+); 1-oxonioethylideneoxonium; 1,10-phenanthroline Formula: C32H34Mo2N6O4+8 MolecularWeight: 758.53016

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.CC(=[OH+])[OH2+].CC(=[OH+])[OH2+].C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Mo+2].[Mo+2]

Isomeric SMILES

CC#N.CC#N.CC(=[OH+])[OH2+].CC(=[OH+])[OH2+].C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Mo+2].[Mo+2]

InChI

InChI=1S/2C12H8N2.2C2H3N.2C2H4O2.2Mo/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-2-3;2*1-2(3)4;;/h2*1-8H;2*1H3;2*1H3,(H,3,4);;/q;;;;;;2*+2/p+4