carbon monoxide; 8-ethoxy-1,3a,8,8a-tetrahydroazulene; iron; triphenylphosphane; hexafluorophosphate

Systemtic Name: carbon monoxide; 8-ethoxy-1,3a,8,8a-tetrahydroazulene; iron; triphenylphosphane; hexafluorophosphate Openeye Name: carbon monoxide; 8-ethoxy-1,3a,8,8a-tetrahydroazulene; iron; triphenylphosphane; hexafluorophosphate CAS Name: carbon monoxide; 8-ethoxy-1,3a,8,8a-tetrahydroazulene; iron; triphenylphosphine; hexafluorophosphate IUPAC Name: carbon monoxide; 8-ethoxy-1,3a,8,8a-tetrahydroazulene; iron; triphenylphosphane; hexafluorophosphate Traditional Name: carbon monoxide; 8-ethoxy-1,3a,8,8a-tetrahydroazulene; iron; triphenylphosphine; hexafluorophosphate Formula: C32H31F6FeO3P2- MolecularWeight: 695.369681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1[CH][CH][CH][CH]C2C1CC=C2.[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.F[P-](F)(F)(F)(F)F.[Fe]

Isomeric SMILES

CCOC1[CH][CH][CH][CH]C2C1CC=C2.[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.F[P-](F)(F)(F)(F)F.[Fe]

InChI

InChI=1S/C18H15P.C12H16O.2CO.F6P.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-13-12-9-4-3-6-10-7-5-8-11(10)12;2*1-2;1-7(2,3,4,5)6;/h1-15H;3-7,9-12H,2,8H2,1H3;;;;/q;;;;-1;