carbon monoxide; iron; 2,6,6-trimethylcyclohepta-2,4-dien-1-one; triphenylphosphane

Systemtic Name: carbon monoxide; iron; 2,6,6-trimethylcyclohepta-2,4-dien-1-one; triphenylphosphane Openeye Name: carbon monoxide; iron; 2,6,6-trimethylcyclohepta-2,4-dien-1-one; triphenylphosphane CAS Name: carbon monoxide; iron; 2,6,6-trimethyl-1-cyclohepta-2,4-dienone; triphenylphosphine IUPAC Name: carbon monoxide; iron; 2,6,6-trimethylcyclohepta-2,4-dien-1-one; triphenylphosphane Traditional Name: carbon monoxide; iron; 2,6,6-trimethylcyclohepta-2,4-dien-1-one; triphenylphosphine Formula: C30H29FeO3P MolecularWeight: 524.368221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(CC1=O)(C)C.[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe]

Isomeric SMILES

CC1=CC=CC(CC1=O)(C)C.[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Fe]

InChI

InChI=1S/C18H15P.C10H14O.2CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-5-4-6-10(2,3)7-9(8)11;2*1-2;/h1-15H;4-6H,7H2,1-3H3;;;