iron(2+); 1,2,3,5,5-pentahexylcyclopenta-1,3-diene

Systemtic Name: iron(2+); 1,2,3,5,5-pentahexylcyclopenta-1,3-diene Openeye Name: ferrous 1,2,3,5,5-pentahexylcyclopenta-1,3-diene CAS Name: iron(2+); 1,2,3,5,5-pentahexylcyclopenta-1,3-diene IUPAC Name: iron(2+); 1,2,3,5,5-pentahexylcyclopenta-1,3-diene Traditional Name: ferrous 1,2,3,5,5-pentahexylcyclopenta-1,3-diene Formula: C70H130Fe MolecularWeight: 1027.6262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=[C-]C(C(=C1CCCCCC)CCCCCC)(CCCCCC)CCCCCC.CCCCCCC1=[C-]C(C(=C1CCCCCC)CCCCCC)(CCCCCC)CCCCCC.[Fe+2]

Isomeric SMILES

CCCCCCC1=[C-]C(C(=C1CCCCCC)CCCCCC)(CCCCCC)CCCCCC.CCCCCCC1=[C-]C(C(=C1CCCCCC)CCCCCC)(CCCCCC)CCCCCC.[Fe+2]

InChI

InChI=1S/2C35H65.Fe/c2*1-6-11-16-21-26-32-31-35(29-24-19-14-9-4,30-25-20-15-10-5)34(28-23-18-13-8-3)33(32)27-22-17-12-7-2;/h2*6-30H2,1-5H3;/q2*-1;+2