iron(3+); 2,3,4-tris(ethenyl)benzoate

Systemtic Name: iron(3+); 2,3,4-tris(ethenyl)benzoate Openeye Name: ferric 2,3,4-trivinylbenzoate CAS Name: iron(3+); 2,3,4-tris(ethenyl)benzoate IUPAC Name: iron(3+); 2,3,4-tris(ethenyl)benzoate Traditional Name: ferric 2,3,4-trivinylbenzoate Formula: C39H33FeO6 MolecularWeight: 653.52072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C13H12O2.Fe/c3*1-4-9-7-8-12(13(14)15)11(6-3)10(9)5-2;/h3*4-8H,1-3H2,(H,14,15);/q;;;+3/p-3