cyclopenta-1,3-diene; 6-(2-cyclopenta-2,4-dien-1-ylethynyl)-2-(cyclopenta-2,4-dien-1-ylmethyl)benzo[de]isoquinoline-1,3-dione; iron

Systemtic Name: cyclopenta-1,3-diene; 6-(2-cyclopenta-2,4-dien-1-ylethynyl)-2-(cyclopenta-2,4-dien-1-ylmethyl)benzo[de]isoquinoline-1,3-dione; iron Openeye Name: cyclopenta-1,3-diene; 6-(2-cyclopenta-2,4-dien-1-ylethynyl)-2-(cyclopenta-2,4-dien-1-ylmethyl)benzo[de]isoquinoline-1,3-dione; iron CAS Name: cyclopenta-1,3-diene; 6-[2-(1-cyclopenta-2,4-dienyl)ethynyl]-2-(1-cyclopenta-2,4-dienylmethyl)benzo[de]isoquinoline-1,3-dione; iron IUPAC Name: cyclopenta-1,3-diene; 6-(2-cyclopenta-2,4-dien-1-ylethynyl)-2-(cyclopenta-2,4-dien-1-ylmethyl)benzo[de]isoquinoline-1,3-dione; iron Traditional Name: cyclopenta-1,3-diene; 6-(2-cyclopenta-2,4-dien-1-ylethynyl)-2-(cyclopenta-2,4-dien-1-ylmethyl)benzo[de]isoquinoline-1,3-quinone; iron Formula: C35H25Fe2NO2-4 MolecularWeight: 603.2685

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=C[C-](C=C1)CN2C(=O)C3=C4C(=C(C=C3)C#C[C-]5C=CC=C5)C=CC=C4C2=O.[Fe].[Fe]

Isomeric SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=C[C-](C=C1)CN2C(=O)C3=C4C(=C(C=C3)C#C[C-]5C=CC=C5)C=CC=C4C2=O.[Fe].[Fe]

InChI

InChI=1S/C25H15NO2.2C5H5.2Fe/c27-24-21-11-5-10-20-19(13-12-17-6-1-2-7-17)14-15-22(23(20)21)25(28)26(24)16-18-8-3-4-9-18;2*1-2-4-5-3-1;;/h1-11,14-15H,16H2;2*1-5H;;/q-2;2*-1;;