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benzenethiolate; iron; molybdenum; sulfanide

benzenethiolate; iron; molybdenum; sulfanide

Systemtic Name:benzenethiolate; iron; molybdenum; sulfanide
Openeye Name:benzenethiolate; iron; molybdenum; sulfanide
CAS Name:benzenethiolate; iron; molybdenum; sulfanide
IUPAC Name:benzenethiolate; iron; molybdenum; sulfanide
Traditional Name:benzenethiolate; iron; molybdenum; octabisulfide
Formula: C54H53Fe6Mo2S17-17
MolecularWeight: 1774.05362
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Mo].[Mo]


Isomeric SMILES

C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].C1=CC=C(C=C1)[S-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Mo].[Mo]


InChI

InChI=1S/9C6H6S.6Fe.2Mo.8H2S/c9*7-6-4-2-1-3-5-6;;;;;;;;;;;;;;;;/h9*1-5,7H;;;;;;;;;8*1H2/p-17


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