cyclopenta-1,3-diene; iron(3+); propan-2-ylbenzene

Systemtic Name: cyclopenta-1,3-diene; iron(3+); propan-2-ylbenzene Openeye Name: ferric; cumene; cyclopenta-1,3-diene CAS Name: cumene; cyclopenta-1,3-diene; iron(3+) IUPAC Name: cumene; cyclopenta-1,3-diene; iron(3+) Traditional Name: ferric; cumene; cyclopenta-1,3-diene Formula: C14H17Fe+2 MolecularWeight: 241.12978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1.C1C=CC=[C-]1.[Fe+3]

Isomeric SMILES

CC(C)C1=CC=CC=C1.C1C=CC=[C-]1.[Fe+3]

InChI

InChI=1S/C9H12.C5H5.Fe/c1-8(2)9-6-4-3-5-7-9;1-2-4-5-3-1;/h3-8H,1-2H3;1-3H,4H2;/q;-1;+3