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

Systemtic Name: 2,7-bis(2-cyclopenta-2,4-dien-1-ylethynyl)-9H-fluorene; cyclopenta-1,3-diene; iron Openeye Name: 2,7-bis(2-cyclopenta-2,4-dien-1-ylethynyl)-9H-fluorene; cyclopenta-1,3-diene; iron CAS Name: 2,7-bis[2-(1-cyclopenta-2,4-dienyl)ethynyl]-9H-fluorene; cyclopenta-1,3-diene; iron IUPAC Name: 2,7-bis(2-cyclopenta-2,4-dien-1-ylethynyl)-9H-fluorene; cyclopenta-1,3-diene; iron Traditional Name: 2,7-bis(2-cyclopenta-2,4-dien-1-ylethynyl)-9H-fluorene; cyclopenta-1,3-diene; iron Formula: C37H26Fe2-4 MolecularWeight: 582.29234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#C[C-]3C=CC=C3)C4=C1C=C(C=C4)C#C[C-]5C=CC=C5.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe].[Fe]

Isomeric SMILES

C1C2=C(C=CC(=C2)C#C[C-]3C=CC=C3)C4=C1C=C(C=C4)C#C[C-]5C=CC=C5.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe].[Fe]

InChI

InChI=1S/C27H16.2C5H5.2Fe/c1-2-6-20(5-1)9-11-22-13-15-26-24(17-22)19-25-18-23(14-16-27(25)26)12-10-21-7-3-4-8-21;2*1-2-4-5-3-1;;/h1-8,13-18H,19H2;2*1-5H;;/q-2;2*-1;;