carbon monoxide; cyclopentyl(diphenyl)phosphane; iron(2+); rhenium; dihydrate

Systemtic Name: carbon monoxide; cyclopentyl(diphenyl)phosphane; iron(2+); rhenium; dihydrate Openeye Name: ferrous; carbon monoxide; cyclopentyl(diphenyl)phosphane; rhenium; dihydrate CAS Name: carbon monoxide; cyclopentyl(diphenyl)phosphine; iron(2+); rhenium; dihydrate IUPAC Name: carbon monoxide; cyclopentyl(diphenyl)phosphane; iron(2+); rhenium; dihydrate Traditional Name: ferrous; carbon monoxide; cyclopentyl(diphenyl)phosphine; rhenium; dihydrate Formula: C40H32FeO8P2Re2+2 MolecularWeight: 1130.883802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.O.O.[Fe+2].[Re].[Re]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.C1=CC=C(C=C1)P(C2=CC=CC=C2)[C]3[CH][CH][CH][CH]3.O.O.[Fe+2].[Re].[Re]

InChI

InChI=1S/2C17H14P.6CO.Fe.2H2O.2Re/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;6*1-2;;;;;/h2*1-14H;;;;;;;;2*1H2;;/q;;;;;;;;+2;;;;