[bis(2-ethylhexyl)amino]-sulfaniumylidene-methanethiolate; iron(3+)

Systemtic Name: [bis(2-ethylhexyl)amino]-sulfaniumylidene-methanethiolate; iron(3+) Openeye Name: ferric [bis(2-ethylhexyl)amino]-sulfoniumylidene-methanethiolate CAS Name: [bis(2-ethylhexyl)amino]-sulfoniumylidenemethanethiolate; iron(3+) IUPAC Name: [bis(2-ethylhexyl)amino]-sulfoniumylidenemethanethiolate; iron(3+) Traditional Name: ferric [bis(2-ethylhexyl)amino]-sulfoniumylidene-methanethiolate Formula: C51H105FeN3S6+3 MolecularWeight: 1008.6345

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN(CC(CC)CCCC)C(=[SH+])[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=[SH+])[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=[SH+])[S-].[Fe+3]

Isomeric SMILES

CCCCC(CC)CN(CC(CC)CCCC)C(=[SH+])[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=[SH+])[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=[SH+])[S-].[Fe+3]

InChI

InChI=1S/3C17H35NS2.Fe/c3*1-5-9-11-15(7-3)13-18(17(19)20)14-16(8-4)12-10-6-2;/h3*15-16H,5-14H2,1-4H3,(H,19,20);/q;;;+3