iron(3+); (4-methylphenyl)methanesulfonate

Systemtic Name: iron(3+); (4-methylphenyl)methanesulfonate Openeye Name: ferric p-tolylmethanesulfonate CAS Name: iron(3+); (4-methylphenyl)methanesulfonate IUPAC Name: iron(3+); (4-methylphenyl)methanesulfonate Traditional Name: ferric p-tolylmethanesulfonate Formula: C24H27FeO9S3 MolecularWeight: 611.50578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)[O-].CC1=CC=C(C=C1)CS(=O)(=O)[O-].CC1=CC=C(C=C1)CS(=O)(=O)[O-].[Fe+3]

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)[O-].CC1=CC=C(C=C1)CS(=O)(=O)[O-].CC1=CC=C(C=C1)CS(=O)(=O)[O-].[Fe+3]

InChI

InChI=1S/3C8H10O3S.Fe/c3*1-7-2-4-8(5-3-7)6-12(9,10)11;/h3*2-5H,6H2,1H3,(H,9,10,11);/q;;;+3/p-3