[ethyl(naphthalen-1-yl)amino]-sulfaniumylidene-methanethiolate; iron(3+)

Systemtic Name: [ethyl(naphthalen-1-yl)amino]-sulfaniumylidene-methanethiolate; iron(3+) Openeye Name: ferric [ethyl(1-naphthyl)amino]-sulfoniumylidene-methanethiolate CAS Name: [ethyl(1-naphthalenyl)amino]-sulfoniumylidenemethanethiolate; iron(3+) IUPAC Name: [ethyl(naphthalen-1-yl)amino]-sulfoniumylidenemethanethiolate; iron(3+) Traditional Name: ferric [ethyl(1-naphthyl)amino]-sulfoniumylidene-methanethiolate Formula: C39H39FeN3S6+3 MolecularWeight: 797.98206

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C(=[SH+])[S-].CCN(C1=CC=CC2=CC=CC=C21)C(=[SH+])[S-].CCN(C1=CC=CC2=CC=CC=C21)C(=[SH+])[S-].[Fe+3]

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=[SH+])[S-].CCN(C1=CC=CC2=CC=CC=C21)C(=[SH+])[S-].CCN(C1=CC=CC2=CC=CC=C21)C(=[SH+])[S-].[Fe+3]

InChI

InChI=1S/3C13H13NS2.Fe/c3*1-2-14(13(15)16)12-9-5-7-10-6-3-4-8-11(10)12;/h3*3-9H,2H2,1H3,(H,15,16);/q;;;+3