iron; iron(2+); phenylmethanethiolate; sulfanide

Systemtic Name: iron; iron(2+); phenylmethanethiolate; sulfanide Openeye Name: ferrous; iron; phenylmethanethiolate; sulfanide CAS Name: iron; iron(2+); phenylmethanethiolate; sulfanide IUPAC Name: iron; iron(2+); phenylmethanethiolate; sulfanide Traditional Name: ferrous; iron; phenylmethanethiolate; nonabisulfide Formula: C14H23Fe6S11-9 MolecularWeight: 879.11742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[S-].C1=CC=C(C=C1)C[S-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)C[S-].C1=CC=C(C=C1)C[S-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe+2]

InChI

InChI=1S/2C7H8S.6Fe.9H2S/c2*8-6-7-4-2-1-3-5-7;;;;;;;;;;;;;;;/h2*1-5,8H,6H2;;;;;;;9*1H2/q;;;;;;;+2;;;;;;;;;/p-11