cyclopentane; (E)-3-cyclopentylbut-2-enoic acid; iron(2+); tris(4-fluorophenyl)stibane

Systemtic Name: cyclopentane; (E)-3-cyclopentylbut-2-enoic acid; iron(2+); tris(4-fluorophenyl)stibane Openeye Name: diferrous; cyclopentane; (E)-3-cyclopentylbut-2-enoic acid; tris(4-fluorophenyl)stibane CAS Name: cyclopentane; (E)-3-cyclopentyl-2-butenoic acid; iron(2+); tris(4-fluorophenyl)stibine IUPAC Name: cyclopentane; (E)-3-cyclopentylbut-2-enoic acid; iron(2+); tris(4-fluorophenyl)stibane Traditional Name: diferrous; cyclopentane; (E)-3-cyclopentylbut-2-enoic acid; tris(4-fluorophenyl)stibine Formula: C46H40F3Fe2O4Sb+4 MolecularWeight: 947.25261

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)[C]1[CH][CH][CH][CH]1.CC(=CC(=O)O)[C]1[CH][CH][CH][CH]1.C1=CC(=CC=C1F)[Sb](C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

Isomeric SMILES

C/C(=C\C(=O)O)/[C]1[CH][CH][CH][CH]1.C/C(=C\C(=O)O)/[C]1[CH][CH][CH][CH]1.C1=CC(=CC=C1F)[Sb](C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/2C9H9O2.3C6H4F.2C5H5.2Fe.Sb/c2*1-7(6-9(10)11)8-4-2-3-5-8;3*7-6-4-2-1-3-5-6;2*1-2-4-5-3-1;;;/h2*2-6H,1H3,(H,10,11);3*2-5H;2*1-5H;;;/q;;;;;;;2*+2;