dibutylcarbamothioylsulfanyloxy sulfate; molybdenum

Systemtic Name: dibutylcarbamothioylsulfanyloxy sulfate; molybdenum Openeye Name: dibutylcarbamothioylsulfanyloxy sulfate; molybdenum CAS Name: [[(dibutylamino)-sulfanylidenemethyl]thio]oxy sulfate; molybdenum IUPAC Name: dibutylcarbamothioylsulfanyloxy sulfate; molybdenum Traditional Name: (dibutylthiocarbamoylthio)oxy sulfate; molybdenum Formula: C54H108MoN6O30S18-6 MolecularWeight: 1994.56752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=S)SOOS(=O)(=O)[O-].CCCCN(CCCC)C(=S)SOOS(=O)(=O)[O-].CCCCN(CCCC)C(=S)SOOS(=O)(=O)[O-].CCCCN(CCCC)C(=S)SOOS(=O)(=O)[O-].CCCCN(CCCC)C(=S)SOOS(=O)(=O)[O-].CCCCN(CCCC)C(=S)SOOS(=O)(=O)[O-].[Mo]

Isomeric SMILES

CCCCN(CCCC)C(=S)SOOS(=O)(=O)[O-].CCCCN(CCCC)C(=S)SOOS(=O)(=O)[O-].CCCCN(CCCC)C(=S)SOOS(=O)(=O)[O-].CCCCN(CCCC)C(=S)SOOS(=O)(=O)[O-].CCCCN(CCCC)C(=S)SOOS(=O)(=O)[O-].CCCCN(CCCC)C(=S)SOOS(=O)(=O)[O-].[Mo]

InChI

InChI=1S/6C9H19NO5S3.Mo/c6*1-3-5-7-10(8-6-4-2)9(16)17-14-15-18(11,12)13;/h6*3-8H2,1-2H3,(H,11,12,13);/p-6