ethanenitrile; molybdenum(2+); 1-oxidaniumylethylideneoxidanium; 2-pyridin-2-ylpyridine

Systemtic Name: ethanenitrile; molybdenum(2+); 1-oxidaniumylethylideneoxidanium; 2-pyridin-2-ylpyridine Openeye Name: acetonitrile; molybdenum(2+); 1-oxonioethylideneoxonium; 2-(2-pyridyl)pyridine CAS Name: acetonitrile; molybdenum(2+); 1-oxonioethylideneoxonium; 2-(2-pyridinyl)pyridine IUPAC Name: acetonitrile; molybdenum(2+); 1-oxonioethylideneoxidanium; 2-pyridin-2-ylpyridine Traditional Name: acetonitrile; molybdenum(2+); 1-oxonioethylideneoxonium; 2-(2-pyridyl)pyridine Formula: C28H34Mo2N6O4+8 MolecularWeight: 710.48736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.CC(=[OH+])[OH2+].CC(=[OH+])[OH2+].C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.[Mo+2].[Mo+2]

Isomeric SMILES

CC#N.CC#N.CC(=[OH+])[OH2+].CC(=[OH+])[OH2+].C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.[Mo+2].[Mo+2]

InChI

InChI=1S/2C10H8N2.2C2H3N.2C2H4O2.2Mo/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;2*1-2(3)4;;/h2*1-8H;2*1H3;2*1H3,(H,3,4);;/q;;;;;;2*+2/p+4