ethanenitrile; ethanoic acid; molybdenum; 1,10-phenanthroline; ditetrafluoroborate

Systemtic Name: ethanenitrile; ethanoic acid; molybdenum; 1,10-phenanthroline; ditetrafluoroborate Openeye Name: acetic acid; acetonitrile; molybdenum; 1,10-phenanthroline; ditetrafluoroborate CAS Name: acetic acid; acetonitrile; molybdenum; 1,10-phenanthroline; ditetrafluoroborate IUPAC Name: acetic acid; acetonitrile; molybdenum; 1,10-phenanthroline; ditetrafluoroborate Traditional Name: acetic acid; acetonitrile; molybdenum; 1,10-phenanthroline; ditetrafluoroborate Formula: C32H30B2F8Mo2N6O4-2 MolecularWeight: 928.107626

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.CC(=O)O.CC(=O)O.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].[Mo]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.CC(=O)O.CC(=O)O.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].[Mo]

InChI

InChI=1S/2C12H8N2.2C2H3N.2C2H4O2.2BF4.2Mo/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;2*2-1(3,4)5;;/h2*1-8H;2*1H3;2*1H3,(H,3,4);;;;/q;;;;;;2*-1;;