iron(3+); [3-methylbutyl(phenyl)amino]-sulfaniumylidene-methanethiolate

Systemtic Name: iron(3+); [3-methylbutyl(phenyl)amino]-sulfaniumylidene-methanethiolate Openeye Name: ferric (N-isopentylanilino)-sulfoniumylidene-methanethiolate CAS Name: iron(3+); [N-(3-methylbutyl)anilino]-sulfoniumylidenemethanethiolate IUPAC Name: iron(3+); [N-(3-methylbutyl)anilino]-sulfoniumylidenemethanethiolate Traditional Name: ferric (N-isoamylanilino)-sulfoniumylidene-methanethiolate Formula: C36H51FeN3S6+3 MolecularWeight: 774.04524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C12H17NS2.Fe/c3*1-10(2)8-9-13(12(14)15)11-6-4-3-5-7-11;/h3*3-7,10H,8-9H2,1-2H3,(H,14,15);/q;;;+3