2,7-bis(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one; cyclopenta-1,3-diene; iron

Systemtic Name: 2,7-bis(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one; cyclopenta-1,3-diene; iron Openeye Name: 2,7-bis(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one; cyclopenta-1,3-diene; iron CAS Name: 2,7-bis[2-(1-cyclopenta-2,4-dienyl)ethynyl]-9-fluorenone; cyclopenta-1,3-diene; iron IUPAC Name: 2,7-bis(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one; cyclopenta-1,3-diene; iron Traditional Name: 2,7-bis(2-cyclopenta-2,4-dien-1-ylethynyl)fluoren-9-one; cyclopenta-1,3-diene; iron Formula: C37H24Fe2O-4 MolecularWeight: 596.27586

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=C[C-](C=C1)C#CC2=CC3=C(C=C2)C4=C(C3=O)C=C(C=C4)C#C[C-]5C=CC=C5.[Fe].[Fe]

Isomeric SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=C[C-](C=C1)C#CC2=CC3=C(C=C2)C4=C(C3=O)C=C(C=C4)C#C[C-]5C=CC=C5.[Fe].[Fe]

InChI

InChI=1S/C27H14O.2C5H5.2Fe/c28-27-25-17-21(11-9-19-5-1-2-6-19)13-15-23(25)24-16-14-22(18-26(24)27)12-10-20-7-3-4-8-20;2*1-2-4-5-3-1;;/h1-8,13-18H;2*1-5H;;/q-2;2*-1;;