iron(3+); (2-methylpiperidin-1-yl)-sulfaniumylidene-methanethiolate

Systemtic Name: iron(3+); (2-methylpiperidin-1-yl)-sulfaniumylidene-methanethiolate Openeye Name: ferric (2-methyl-1-piperidyl)-sulfoniumylidene-methanethiolate CAS Name: iron(3+); (2-methyl-1-piperidinyl)-sulfoniumylidenemethanethiolate IUPAC Name: iron(3+); (2-methylpiperidin-1-yl)-sulfoniumylidenemethanethiolate Traditional Name: ferric (2-methylpiperidino)-sulfoniumylidene-methanethiolate Formula: C21H39FeN3S6+3 MolecularWeight: 581.78946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=[SH+])[S-].CC1CCCCN1C(=[SH+])[S-].CC1CCCCN1C(=[SH+])[S-].[Fe+3]

Isomeric SMILES

CC1CCCCN1C(=[SH+])[S-].CC1CCCCN1C(=[SH+])[S-].CC1CCCCN1C(=[SH+])[S-].[Fe+3]

InChI

InChI=1S/3C7H13NS2.Fe/c3*1-6-4-2-3-5-8(6)7(9)10;/h3*6H,2-5H2,1H3,(H,9,10);/q;;;+3