(dimorpholin-4-ylamino)-sulfaniumylidene-methanethiolate; iron(3+)

Systemtic Name: (dimorpholin-4-ylamino)-sulfaniumylidene-methanethiolate; iron(3+) Openeye Name: ferric (dimorpholinoamino)-sulfoniumylidene-methanethiolate CAS Name: [bis(4-morpholinyl)amino]-sulfoniumylidenemethanethiolate; iron(3+) IUPAC Name: (dimorpholin-4-ylamino)-sulfoniumylidenemethanethiolate; iron(3+) Traditional Name: ferric (dimorpholinoamino)-sulfoniumylidene-methanethiolate Formula: C27H51FeN9O6S6+3 MolecularWeight: 845.98554

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1N(C(=[SH+])[S-])N2CCOCC2.C1COCCN1N(C(=[SH+])[S-])N2CCOCC2.C1COCCN1N(C(=[SH+])[S-])N2CCOCC2.[Fe+3]

Isomeric SMILES

C1COCCN1N(C(=[SH+])[S-])N2CCOCC2.C1COCCN1N(C(=[SH+])[S-])N2CCOCC2.C1COCCN1N(C(=[SH+])[S-])N2CCOCC2.[Fe+3]

InChI

InChI=1S/3C9H17N3O2S2.Fe/c3*15-9(16)12(10-1-5-13-6-2-10)11-3-7-14-8-4-11;/h3*1-8H2,(H,15,16);/q;;;+3