cyclopentane; ethyl 2-(4-propan-2-ylphenyl)hexanoate; iron(2+); hexafluorophosphate

Systemtic Name: cyclopentane; ethyl 2-(4-propan-2-ylphenyl)hexanoate; iron(2+); hexafluorophosphate Openeye Name: ferrous; cyclopentane; ethyl 2-(4-isopropylphenyl)hexanoate; hexafluorophosphate CAS Name: cyclopentane; iron(2+); 2-(4-propan-2-ylphenyl)hexanoic acid ethyl ester; hexafluorophosphate IUPAC Name: cyclopentane; ethyl 2-(4-propan-2-ylphenyl)hexanoate; iron(2+); hexafluorophosphate Traditional Name: ferrous; cyclopentane; 2-p-cumenylhexanoic acid ethyl ester; hexafluorophosphate Formula: C22H31F6FeO2P+ MolecularWeight: 528.28952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)C(C)C)C(=O)OCC.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe+2]

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)C(C)C)C(=O)OCC.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe+2]

InChI

InChI=1S/C17H26O2.C5H5.F6P.Fe/c1-5-7-8-16(17(18)19-6-2)15-11-9-14(10-12-15)13(3)4;1-2-4-5-3-1;1-7(2,3,4,5)6;/h9-13,16H,5-8H2,1-4H3;1-5H;;/q;;-1;+2