3-methyl-2-phenyl-chromenylium; tetrakis(bromanyl)iron

Systemtic Name: 3-methyl-2-phenyl-chromenylium; tetrakis(bromanyl)iron Openeye Name: 3-methyl-2-phenyl-chromenylium; tetrabromoiron CAS Name: 3-methyl-2-phenyl-1-benzopyrylium; tetrabromoiron IUPAC Name: 3-methyl-2-phenylchromenylium; tetrabromoiron Traditional Name: 3-methyl-2-phenyl-1-benzopyrylium; tetrabromoiron Formula: C16H13Br4FeO+ MolecularWeight: 596.73482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2[O+]=C1C3=CC=CC=C3.[Fe](Br)(Br)(Br)Br

Isomeric SMILES

CC1=CC2=CC=CC=C2[O+]=C1C3=CC=CC=C3.[Fe](Br)(Br)(Br)Br

InChI

InChI=1S/C16H13O.4BrH.Fe/c1-12-11-14-9-5-6-10-15(14)17-16(12)13-7-3-2-4-8-13;;;;;/h2-11H,1H3;4*1H;/q+1;;;;;+4/p-4