cyclopenta-1,3-diene; ethane; iron(4+); tetraphenylboranuide

Systemtic Name: cyclopenta-1,3-diene; ethane; iron(4+); tetraphenylboranuide Openeye Name: cyclopenta-1,3-diene; ethane; iron(4+); tetraphenylboranuide CAS Name: cyclopenta-1,3-diene; ethane; iron(4+); tetraphenylboranuide IUPAC Name: cyclopenta-1,3-diene; ethane; iron(4+); tetraphenylboranuide Traditional Name: cyclopenta-1,3-diene; ethane; iron(4+); tetraphenylboranuide Formula: C38H40BFe- MolecularWeight: 563.3802

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C[CH2-].C[CH2-].C1C=CC=[C-]1.C1C=CC=[C-]1.[Fe+4]

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C[CH2-].C[CH2-].C1C=CC=[C-]1.C1C=CC=[C-]1.[Fe+4]

InChI

InChI=1S/C24H20B.2C5H5.2C2H5.Fe/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-2-4-5-3-1;2*1-2;/h1-20H;2*1-3H,4H2;2*1H2,2H3;/q5*-1;+4