cyclopentane; 1-[cyclopentyl-(3-methylazulen-1-yl)methyl]-3-methyl-azulene; iron(2+); hexafluorophosphate

Systemtic Name: cyclopentane; 1-[cyclopentyl-(3-methylazulen-1-yl)methyl]-3-methyl-azulene; iron(2+); hexafluorophosphate Openeye Name: ferrous; cyclopentane; 1-[cyclopentyl-(3-methylazulen-1-yl)methyl]-3-methyl-azulene; hexafluorophosphate CAS Name: cyclopentane; 1-[cyclopentyl-(3-methyl-1-azulenyl)methyl]-3-methylazulene; iron(2+); hexafluorophosphate IUPAC Name: cyclopentane; 1-[cyclopentyl-(3-methylazulen-1-yl)methyl]-3-methylazulene; iron(2+); hexafluorophosphate Traditional Name: ferrous; cyclopentane; 1-[cyclopentyl-(3-methylazulen-1-yl)methyl]-3-methyl-azulene; hexafluorophosphate Formula: C33H27F6FeP+2 MolecularWeight: 624.37666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=CC=C2C(=C1)[C+]([C]3[CH][CH][CH][CH]3)C4=CC(=C5C4=CC=CC=C5)C.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe+2]

Isomeric SMILES

CC1=C2C=CC=CC=C2C(=C1)[C+]([C]3[CH][CH][CH][CH]3)C4=CC(=C5C4=CC=CC=C5)C.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe+2]

InChI

InChI=1S/C28H22.C5H5.F6P.Fe/c1-19-17-26(24-15-7-3-5-13-22(19)24)28(21-11-9-10-12-21)27-18-20(2)23-14-6-4-8-16-25(23)27;1-2-4-5-3-1;1-7(2,3,4,5)6;/h3-18H,1-2H3;1-5H;;/q+1;;-1;+2