cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-9,10-bis(2-phenylethynyl)anthracene; iron

Systemtic Name: cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-9,10-bis(2-phenylethynyl)anthracene; iron Openeye Name: cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-9,10-bis(2-phenylethynyl)anthracene; iron CAS Name: cyclopenta-1,3-diene; 2-(1-cyclopenta-2,4-dienyl)-9,10-bis(2-phenylethynyl)anthracene; iron IUPAC Name: cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-9,10-bis(2-phenylethynyl)anthracene; iron Traditional Name: cyclopenta-1,3-diene; 2-cyclopenta-2,4-dien-1-yl-9,10-bis(2-phenylethynyl)anthracene; iron Formula: C40H26Fe-2 MolecularWeight: 562.47944

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.C1=CC=C(C=C1)C#CC2=C3C=CC(=CC3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5)[C-]6C=CC=C6.[Fe]

Isomeric SMILES

[CH-]1C=CC=C1.C1=CC=C(C=C1)C#CC2=C3C=CC(=CC3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5)[C-]6C=CC=C6.[Fe]

InChI

InChI=1S/C35H21.C5H5.Fe/c1-3-11-26(12-4-1)19-22-32-30-17-9-10-18-31(30)33(23-20-27-13-5-2-6-14-27)35-25-29(21-24-34(32)35)28-15-7-8-16-28;1-2-4-5-3-1;/h1-18,21,24-25H;1-5H;/q2*-1;