oxidanylidenemolybdenum; pyrazine; tetraphenylphosphanium; tetracyanide

Systemtic Name: oxidanylidenemolybdenum; pyrazine; tetraphenylphosphanium; tetracyanide Openeye Name: oxomolybdenum; pyrazine; tetraphenylphosphonium; tetracyanide CAS Name: oxomolybdenum; pyrazine; tetraphenylphosphonium; tetracyanide IUPAC Name: oxomolybdenum; pyrazine; tetraphenylphosphanium; tetracyanide Traditional Name: ketomolybdenum; pyrazine; tetraphenylphosphonium; tetracyanide Formula: C56H44MoN6OP2-2 MolecularWeight: 974.875682

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#N.[C-]#N.[C-]#N.[C-]#N.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CN=CC=N1.O=[Mo]

Isomeric SMILES

[C-]#N.[C-]#N.[C-]#N.[C-]#N.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CN=CC=N1.O=[Mo]

InChI

InChI=1S/2C24H20P.C4H4N2.4CN.Mo.O/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-2-6-4-3-5-1;4*1-2;;/h2*1-20H;1-4H;;;;;;/q2*+1;;4*-1;;