bis(oxidanylidene)molybdenum(2+); 1-butyl-3-methyl-imidazol-3-ium; tetraisothiocyanate

Systemtic Name: bis(oxidanylidene)molybdenum(2+); 1-butyl-3-methyl-imidazol-3-ium; tetraisothiocyanate Openeye Name: 1-butyl-3-methyl-imidazol-3-ium; dioxomolybdenum(2+); tetraisothiocyanate CAS Name: 1-butyl-3-methylimidazol-3-ium; dioxomolybdenum(2+); tetraisothiocyanate IUPAC Name: 1-butyl-3-methylimidazol-3-ium; dioxomolybdenum(2+); tetraisothiocyanate Traditional Name: 1-butyl-3-methyl-imidazol-3-ium; diketomolybdenum(2+); tetraisothiocyanate Formula: C20H30MoN8O2S4 MolecularWeight: 638.7046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)C.CCCCN1C=C[N+](=C1)C.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.O=[Mo+2]=O

Isomeric SMILES

CCCCN1C=C[N+](=C1)C.CCCCN1C=C[N+](=C1)C.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.O=[Mo+2]=O

InChI

InChI=1S/2C8H15N2.4CNS.Mo.2O/c2*1-3-4-5-10-7-6-9(2)8-10;4*2-1-3;;;/h2*6-8H,3-5H2,1-2H3;;;;;;;/q2*+1;4*-1;+2;;