cyclopentane; (7E)-3-cyclopentyl-7-(cyclopentylmethylidene)-1-methyl-3a,4,5,6-tetrahydroindazol-1-ium; iron

Systemtic Name: cyclopentane; (7E)-3-cyclopentyl-7-(cyclopentylmethylidene)-1-methyl-3a,4,5,6-tetrahydroindazol-1-ium; iron Openeye Name: cyclopentane; (7E)-3-cyclopentyl-7-(cyclopentylmethylene)-1-methyl-3a,4,5,6-tetrahydroindazol-1-ium; iron CAS Name: cyclopentane; (7E)-3-cyclopentyl-7-(cyclopentylmethylidene)-1-methyl-3a,4,5,6-tetrahydroindazol-1-ium; iron IUPAC Name: cyclopentane; (7E)-3-cyclopentyl-7-(cyclopentylmethylidene)-1-methyl-3a,4,5,6-tetrahydroindazol-1-ium; iron Traditional Name: cyclopentane; (7E)-3-cyclopentyl-7-(cyclopentylmethylene)-1-methyl-3a,4,5,6-tetrahydroindazol-1-ium; iron Formula: C29H29Fe2N2+ MolecularWeight: 517.24396

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(CCCC2=C[C]3[CH][CH][CH][CH]3)C(=N1)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe].[Fe]

Isomeric SMILES

C[N+]1=C\2C(CCC/C2=C\[C]3[CH][CH][CH][CH]3)C(=N1)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe].[Fe]

InChI

InChI=1S/C19H19N2.2C5H5.2Fe/c1-21-19-16(13-14-7-2-3-8-14)11-6-12-17(19)18(20-21)15-9-4-5-10-15;2*1-2-4-5-3-1;;/h2-5,7-10,13,17H,6,11-12H2,1H3;2*1-5H;;/q+1;;;;