(dihexylamino)-sulfaniumylidene-methanethiolate; iron(3+)

Systemtic Name: (dihexylamino)-sulfaniumylidene-methanethiolate; iron(3+) Openeye Name: ferric (dihexylamino)-sulfoniumylidene-methanethiolate CAS Name: (dihexylamino)-sulfoniumylidenemethanethiolate; iron(3+) IUPAC Name: (dihexylamino)-sulfoniumylidenemethanethiolate; iron(3+) Traditional Name: ferric (dihexylamino)-sulfoniumylidene-methanethiolate Formula: C39H81FeN3S6+3 MolecularWeight: 840.31554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=[SH+])[S-].CCCCCCN(CCCCCC)C(=[SH+])[S-].CCCCCCN(CCCCCC)C(=[SH+])[S-].[Fe+3]

Isomeric SMILES

CCCCCCN(CCCCCC)C(=[SH+])[S-].CCCCCCN(CCCCCC)C(=[SH+])[S-].CCCCCCN(CCCCCC)C(=[SH+])[S-].[Fe+3]

InChI

InChI=1S/3C13H27NS2.Fe/c3*1-3-5-7-9-11-14(13(15)16)12-10-8-6-4-2;/h3*3-12H2,1-2H3,(H,15,16);/q;;;+3