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3,6-dipropylbenzene-1,2-diol; ethanethiolate; iron; molybdenum; sulfanide

3,6-dipropylbenzene-1,2-diol; ethanethiolate; iron; molybdenum; sulfanide

Systemtic Name:3,6-dipropylbenzene-1,2-diol; ethanethiolate; iron; molybdenum; sulfanide
Openeye Name:3,6-dipropylbenzene-1,2-diol; ethanethiolate; iron; molybdenum; sulfanide
CAS Name:3,6-dipropylbenzene-1,2-diol; ethanethiolate; iron; molybdenum; sulfanide
IUPAC Name:3,6-dipropylbenzene-1,2-diol; ethanethiolate; iron; molybdenum; sulfanide
Traditional Name:3,6-dipropylpyrocatechol; ethanethiolate; iron; molybdenum; octabisulfide
Formula: C36H74Fe6Mo2O4S14-14
MolecularWeight: 1546.83036
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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1)CCC)O)O.CCCC1=C(C(=C(C=C1)CCC)O)O.CC[S-].CC[S-].CC[S-].CC[S-].CC[S-].CC[S-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Mo].[Mo]


Isomeric SMILES

CCCC1=C(C(=C(C=C1)CCC)O)O.CCCC1=C(C(=C(C=C1)CCC)O)O.CC[S-].CC[S-].CC[S-].CC[S-].CC[S-].CC[S-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Mo].[Mo]


InChI

InChI=1S/2C12H18O2.6C2H6S.6Fe.2Mo.8H2S/c2*1-3-5-9-7-8-10(6-4-2)12(14)11(9)13;6*1-2-3;;;;;;;;;;;;;;;;/h2*7-8,13-14H,3-6H2,1-2H3;6*3H,2H2,1H3;;;;;;;;;8*1H2/p-14


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