bis[2,4,6-tri(propan-2-yl)phenyl]phosphanium; carbon monoxide; iron

Systemtic Name: bis[2,4,6-tri(propan-2-yl)phenyl]phosphanium; carbon monoxide; iron Openeye Name: bis(2,4,6-triisopropylphenyl)phosphonium; carbon monoxide; iron CAS Name: bis[2,4,6-tri(propan-2-yl)phenyl]phosphonium; carbon monoxide; iron IUPAC Name: bis[2,4,6-tri(propan-2-yl)phenyl]phosphanium; carbon monoxide; iron Traditional Name: bis(2,4,6-triisopropylphenyl)phosphonium; carbon monoxide; iron Formula: C34H48FeO4P+ MolecularWeight: 607.561281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)C)[PH2+]C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)[PH2+]C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C30H47P.4CO.Fe/c1-17(2)23-13-25(19(5)6)29(26(14-23)20(7)8)31-30-27(21(9)10)15-24(18(3)4)16-28(30)22(11)12;4*1-2;/h13-22,31H,1-12H3;;;;;/p+1