iron(2+); iron(4+); 2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethanethiolate

Systemtic Name: iron(2+); iron(4+); 2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethanethiolate Openeye Name: ferrous; iron(4+); 2-[5-(2-sulfonioethyl)-1,5-diazocan-1-yl]ethanethiolate CAS Name: iron(2+); iron(4+); 2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethanethiolate IUPAC Name: iron(2+); iron(4+); 2-[5-(2-sulfaniumylethyl)-1,5-diazocan-1-yl]ethanethiolate Traditional Name: ferrous; iron(4+); 2-[5-(2-sulfonioethyl)-1,5-diazocan-1-yl]ethanethiolate Formula: C20H44Fe2N4S4+6 MolecularWeight: 580.54016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCCN(C1)CC[S-])CC[SH2+].C1CN(CCCN(C1)CC[S-])CC[SH2+].[Fe+2].[Fe+4]

Isomeric SMILES

C1CN(CCCN(C1)CC[S-])CC[SH2+].C1CN(CCCN(C1)CC[S-])CC[SH2+].[Fe+2].[Fe+4]

InChI

InChI=1S/2C10H22N2S2.2Fe/c2*13-9-7-11-3-1-4-12(8-10-14)6-2-5-11;;/h2*13-14H,1-10H2;;/q;;+2;+4