iron(3+); 2,3,5,6-tetramethylbenzenethiolate

Systemtic Name: iron(3+); 2,3,5,6-tetramethylbenzenethiolate Openeye Name: ferric 2,3,5,6-tetramethylbenzenethiolate CAS Name: iron(3+); 2,3,5,6-tetramethylbenzenethiolate IUPAC Name: iron(3+); 2,3,5,6-tetramethylbenzenethiolate Traditional Name: ferric 2,3,5,6-tetramethylbenzenethiolate Formula: C40H52FeS4- MolecularWeight: 716.94588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)[S-])C)C.CC1=CC(=C(C(=C1C)[S-])C)C.CC1=CC(=C(C(=C1C)[S-])C)C.CC1=CC(=C(C(=C1C)[S-])C)C.[Fe+3]

Isomeric SMILES

CC1=CC(=C(C(=C1C)[S-])C)C.CC1=CC(=C(C(=C1C)[S-])C)C.CC1=CC(=C(C(=C1C)[S-])C)C.CC1=CC(=C(C(=C1C)[S-])C)C.[Fe+3]

InChI

InChI=1S/4C10H14S.Fe/c4*1-6-5-7(2)9(4)10(11)8(6)3;/h4*5,11H,1-4H3;/q;;;;+3/p-4