cyclopentane; 4-[(E)-1-cyclopentyl-1-(4-methoxyphenyl)but-1-en-2-yl]phenol; iron(2+)

Systemtic Name: cyclopentane; 4-[(E)-1-cyclopentyl-1-(4-methoxyphenyl)but-1-en-2-yl]phenol; iron(2+) Openeye Name: ferrous; cyclopentane; 4-[(1E)-1-[cyclopentyl-(4-methoxyphenyl)methylene]propyl]phenol CAS Name: cyclopentane; 4-[(E)-1-cyclopentyl-1-(4-methoxyphenyl)but-1-en-2-yl]phenol; iron(2+) IUPAC Name: cyclopentane; 4-[(E)-1-cyclopentyl-1-(4-methoxyphenyl)but-1-en-2-yl]phenol; iron(2+) Traditional Name: ferrous; cyclopentane; 4-[(E)-2-cyclopentyl-1-ethyl-2-(4-methoxyphenyl)vinyl]phenol Formula: C27H26FeO2+2 MolecularWeight: 438.33914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OC)[C]2[CH][CH][CH][CH]2)C3=CC=C(C=C3)O.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC/C(=C(\C1=CC=C(C=C1)OC)/[C]2[CH][CH][CH][CH]2)/C3=CC=C(C=C3)O.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C22H21O2.C5H5.Fe/c1-3-21(16-8-12-19(23)13-9-16)22(17-6-4-5-7-17)18-10-14-20(24-2)15-11-18;1-2-4-5-3-1;/h4-15,23H,3H2,1-2H3;1-5H;/q;;+2