iron(3+); (E)-2-phenylethenesulfonate

Systemtic Name: iron(3+); (E)-2-phenylethenesulfonate Openeye Name: ferric (E)-2-phenylethenesulfonate CAS Name: iron(3+); (E)-2-phenylethenesulfonate IUPAC Name: iron(3+); (E)-2-phenylethenesulfonate Traditional Name: ferric (E)-2-phenylethenesulfonate Formula: C24H21FeO9S3 MolecularWeight: 605.45814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)/C=C/S(=O)(=O)[O-].C1=CC=C(C=C1)/C=C/S(=O)(=O)[O-].C1=CC=C(C=C1)/C=C/S(=O)(=O)[O-].[Fe+3]

InChI

InChI=1S/3C8H8O3S.Fe/c3*9-12(10,11)7-6-8-4-2-1-3-5-8;/h3*1-7H,(H,9,10,11);/q;;;+3/p-3/b3*7-6+;