6-tert-butyl-1-[(6-tert-butylazulen-1-yl)-cyclopentyl-methyl]azulene; cyclopentane; iron(2+); hexafluorophosphate

Systemtic Name: 6-tert-butyl-1-[(6-tert-butylazulen-1-yl)-cyclopentyl-methyl]azulene; cyclopentane; iron(2+); hexafluorophosphate Openeye Name: ferrous; 6-tert-butyl-1-[(6-tert-butylazulen-1-yl)-cyclopentyl-methyl]azulene; cyclopentane; hexafluorophosphate CAS Name: 6-tert-butyl-1-[(6-tert-butyl-1-azulenyl)-cyclopentylmethyl]azulene; cyclopentane; iron(2+); hexafluorophosphate IUPAC Name: 6-tert-butyl-1-[(6-tert-butylazulen-1-yl)-cyclopentylmethyl]azulene; cyclopentane; iron(2+); hexafluorophosphate Traditional Name: ferrous; 6-tert-butyl-1-[(6-tert-butylazulen-1-yl)-cyclopentyl-methyl]azulene; cyclopentane; hexafluorophosphate Formula: C39H39F6FeP+2 MolecularWeight: 708.53614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C=CC(=C2C=C1)[C+](C3=C4C=CC(=CC=C4C=C3)C(C)(C)C)[C]5[CH][CH][CH][CH]5.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe+2]

Isomeric SMILES

CC(C)(C)C1=CC=C2C=CC(=C2C=C1)[C+](C3=C4C=CC(=CC=C4C=C3)C(C)(C)C)[C]5[CH][CH][CH][CH]5.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe+2]

InChI

InChI=1S/C34H34.C5H5.F6P.Fe/c1-33(2,3)26-15-11-23-13-19-30(28(23)21-17-26)32(25-9-7-8-10-25)31-20-14-24-12-16-27(34(4,5)6)18-22-29(24)31;1-2-4-5-3-1;1-7(2,3,4,5)6;/h7-22H,1-6H3;1-5H;;/q+1;;-1;+2