carbon monoxide; cyclooctatetraene; iron; [(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]-diphenyl-phosphane

Systemtic Name: carbon monoxide; cyclooctatetraene; iron; [(1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]-diphenyl-phosphane Openeye Name: carbon monoxide; cyclooctatetraene; iron; [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]-diphenyl-phosphane CAS Name: carbon monoxide; cyclooctatetraene; iron; [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphine IUPAC Name: carbon monoxide; cyclooctatetraene; iron; [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane Traditional Name: carbon monoxide; cyclooctatetraene; iron; [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]-diphenyl-phosphine Formula: C32H37FeO2P MolecularWeight: 540.453741

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C(C)C.[C-]#[O+].[C-]#[O+].C1=CC=CC=CC=C1.[Fe]

Isomeric SMILES

C[C@H]1C[C@@H]([C@@H](CC1)C(C)C)P(C2=CC=CC=C2)C3=CC=CC=C3.[C-]#[O+].[C-]#[O+].C\1=C\C=C/C=C\C=C1.[Fe]

InChI

InChI=1S/C22H29P.C8H8.2CO.Fe/c1-17(2)21-15-14-18(3)16-22(21)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-2-4-6-8-7-5-3-1;2*1-2;/h4-13,17-18,21-22H,14-16H2,1-3H3;1-8H;;;/b;2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-;;;/t18-,21+,22+;;;;/m1..../s1