methanedithiolate; methylcyclopentane; molybdenum(2+); sulfanide; ditetrafluoroborate

Systemtic Name: methanedithiolate; methylcyclopentane; molybdenum(2+); sulfanide; ditetrafluoroborate Openeye Name: methanedithiolate; methylcyclopentane; molybdenum(2+); sulfanide; ditetrafluoroborate CAS Name: methanedithiolate; methylcyclopentane; molybdenum(2+); sulfanide; ditetrafluoroborate IUPAC Name: methanedithiolate; methylcyclopentane; molybdenum(2+); sulfanide; ditetrafluoroborate Traditional Name: methanedithiolate; methylcyclopentane; molybdenum(2+); tetrabisulfide; ditetrafluoroborate Formula: C26H36B2F8Mo4S8-2 MolecularWeight: 1162.453266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C[C]1[CH][CH][CH][CH]1.C[C]1[CH][CH][CH][CH]1.C[C]1[CH][CH][CH][CH]1.C[C]1[CH][CH][CH][CH]1.C([S-])[S-].C([S-])[S-].[SH-].[SH-].[SH-].[SH-].[Mo+2].[Mo+2].[Mo+2].[Mo+2]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C[C]1[CH][CH][CH][CH]1.C[C]1[CH][CH][CH][CH]1.C[C]1[CH][CH][CH][CH]1.C[C]1[CH][CH][CH][CH]1.C([S-])[S-].C([S-])[S-].[SH-].[SH-].[SH-].[SH-].[Mo+2].[Mo+2].[Mo+2].[Mo+2]

InChI

InChI=1S/4C6H7.2CH4S2.2BF4.4Mo.4H2S/c4*1-6-4-2-3-5-6;2*2-1-3;2*2-1(3,4)5;;;;;;;;/h4*2-5H,1H3;2*2-3H,1H2;;;;;;;4*1H2/q;;;;;;2*-1;4*+2;;;;/p-8