carbon monoxide; iron; 3-methyl-4-[2-(4-methyl-1-phenyl-phosphol-3-yl)ethyl]-1-phenyl-phosphole

Systemtic Name: carbon monoxide; iron; 3-methyl-4-[2-(4-methyl-1-phenyl-phosphol-3-yl)ethyl]-1-phenyl-phosphole Openeye Name: carbon monoxide; iron; 3-methyl-4-[2-(4-methyl-1-phenyl-phosphol-3-yl)ethyl]-1-phenyl-phosphole CAS Name: carbon monoxide; iron; 3-methyl-4-[2-(4-methyl-1-phenyl-3-phospholyl)ethyl]-1-phenylphosphole IUPAC Name: carbon monoxide; iron; 3-methyl-4-[2-(4-methyl-1-phenylphosphol-3-yl)ethyl]-1-phenylphosphole Traditional Name: carbon monoxide; iron; 3-methyl-4-[2-(4-methyl-1-phenyl-phosphol-3-yl)ethyl]-1-phenyl-phosphole Formula: C38H24Fe4O14P2 MolecularWeight: 989.916282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CP(C=C1CCC2=CP(C=C2C)C3=CC=CC=C3)C4=CC=CC=C4.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Fe].[Fe]

Isomeric SMILES

CC1=CP(C=C1CCC2=CP(C=C2C)C3=CC=CC=C3)C4=CC=CC=C4.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Fe].[Fe]

InChI

InChI=1S/C24H24P2.14CO.4Fe/c1-19-15-25(23-9-5-3-6-10-23)17-21(19)13-14-22-18-26(16-20(22)2)24-11-7-4-8-12-24;14*1-2;;;;/h3-12,15-18H,13-14H2,1-2H3;;;;;;;;;;;;;;;;;;