iron(3+); 2-methylbenzenesulfonate

Systemtic Name: iron(3+); 2-methylbenzenesulfonate Openeye Name: ferric 2-methylbenzenesulfonate CAS Name: iron(3+); 2-methylbenzenesulfonate IUPAC Name: iron(3+); 2-methylbenzenesulfonate Traditional Name: ferric 2-methylbesylate Formula: C21H21FeO9S3 MolecularWeight: 569.42604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)[O-].CC1=CC=CC=C1S(=O)(=O)[O-].CC1=CC=CC=C1S(=O)(=O)[O-].[Fe+3]

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)[O-].CC1=CC=CC=C1S(=O)(=O)[O-].CC1=CC=CC=C1S(=O)(=O)[O-].[Fe+3]

InChI

InChI=1S/3C7H8O3S.Fe/c3*1-6-4-2-3-5-7(6)11(8,9)10;/h3*2-5H,1H3,(H,8,9,10);/q;;;+3/p-3