5,5-bis(prop-2-enyl)-4a,6-dihydro-4H-phenanthridin-5-ium; carbon monoxide; iron; hexafluorophosphate

Systemtic Name: 5,5-bis(prop-2-enyl)-4a,6-dihydro-4H-phenanthridin-5-ium; carbon monoxide; iron; hexafluorophosphate Openeye Name: carbon monoxide; 5,5-diallyl-4a,6-dihydro-4H-phenanthridin-5-ium; iron; hexafluorophosphate CAS Name: 5,5-bis(prop-2-enyl)-4a,6-dihydro-4H-phenanthridin-5-ium; carbon monoxide; iron; hexafluorophosphate IUPAC Name: 5,5-bis(prop-2-enyl)-4a,6-dihydro-4H-phenanthridin-5-ium; carbon monoxide; iron; hexafluorophosphate Traditional Name: carbon monoxide; 5,5-diallyl-4a,6-dihydro-4H-phenanthridin-5-ium; iron; hexafluorophosphate Formula: C22H22F6FeNO3P MolecularWeight: 549.22416

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1(CC2=CC=CC=C2C3=CC=CCC31)CC=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].F[P-](F)(F)(F)(F)F.[Fe]

Isomeric SMILES

C=CC[N+]1(CC2=CC=CC=C2C3=CC=CCC31)CC=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].F[P-](F)(F)(F)(F)F.[Fe]

InChI

InChI=1S/C19H22N.3CO.F6P.Fe/c1-3-13-20(14-4-2)15-16-9-5-6-10-17(16)18-11-7-8-12-19(18)20;3*1-2;1-7(2,3,4,5)6;/h3-11,19H,1-2,12-15H2;;;;;/q+1;;;;-1;