cyclopentane; iron; methyl 4-[4-(3-oxidanylphenoxy)phenoxy]benzoate; hexafluorophosphate

Systemtic Name: cyclopentane; iron; methyl 4-[4-(3-oxidanylphenoxy)phenoxy]benzoate; hexafluorophosphate Openeye Name: cyclopentane; iron; methyl 4-[4-(3-hydroxyphenoxy)phenoxy]benzoate; hexafluorophosphate CAS Name: cyclopentane; 4-[4-(3-hydroxyphenoxy)phenoxy]benzoic acid methyl ester; iron; hexafluorophosphate IUPAC Name: cyclopentane; iron; methyl 4-[4-(3-hydroxyphenoxy)phenoxy]benzoate; hexafluorophosphate Traditional Name: cyclopentane; 4-[4-(3-hydroxyphenoxy)phenoxy]benzoic acid methyl ester; iron; hexafluorophosphate Formula: C25H21F6FeO5P- MolecularWeight: 602.24042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)OC3=CC=CC(=C3)O.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)OC3=CC=CC(=C3)O.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe]

InChI

InChI=1S/C20H16O5.C5H5.F6P.Fe/c1-23-20(22)14-5-7-16(8-6-14)24-17-9-11-18(12-10-17)25-19-4-2-3-15(21)13-19;1-2-4-5-3-1;1-7(2,3,4,5)6;/h2-13,21H,1H3;1-5H;;/q;;-1;