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: C16H17MoN3O2+4 MolecularWeight: 379.26508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N2.C2H3N.C2H4O2.Mo/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-3;1-2(3)4;/h1-8H;1H3;1H3,(H,3,4);/q;;;+2/p+2