3H-1,3-benzothiazol-3-ium-2-ylidenesulfanium; iron(3+); disulfide

Systemtic Name: 3H-1,3-benzothiazol-3-ium-2-ylidenesulfanium; iron(3+); disulfide Openeye Name: diferric 3H-1,3-benzothiazol-3-ium-2-ylidenesulfonium disulfide CAS Name: 3H-1,3-benzothiazol-3-ium-2-ylidenesulfonium; iron(3+); disulfide IUPAC Name: 3H-1,3-benzothiazol-3-ium-2-ylidenesulfanium; iron(3+); disulfide Traditional Name: diferric 3H-1,3-benzothiazol-3-ium-2-ylidenesulfonium disulfide Formula: C14H14Fe2N2S6+6 MolecularWeight: 514.35436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[NH2+]C(=[SH+])S2.C1=CC=C2C(=C1)[NH2+]C(=[SH+])S2.[S-2].[S-2].[Fe+3].[Fe+3]

Isomeric SMILES

C1=CC=C2C(=C1)[NH2+]C(=[SH+])S2.C1=CC=C2C(=C1)[NH2+]C(=[SH+])S2.[S-2].[S-2].[Fe+3].[Fe+3]

InChI

InChI=1S/2C7H5NS2.2Fe.2S/c2*9-7-8-5-3-1-2-4-6(5)10-7;;;;/h2*1-4H,(H,8,9);;;;/q;;2*+3;2*-2/p+4