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

Systemtic Name: cyclopentane; (E)-3-cyclopentylbut-2-enoic acid; iron(2+); tris(4-methylphenyl)stibane Openeye Name: diferrous; cyclopentane; (E)-3-cyclopentylbut-2-enoic acid; tris-p-tolylstibane CAS Name: cyclopentane; (E)-3-cyclopentyl-2-butenoic acid; iron(2+); tris(4-methylphenyl)stibine IUPAC Name: cyclopentane; (E)-3-cyclopentylbut-2-enoic acid; iron(2+); tris(4-methylphenyl)stibane Traditional Name: diferrous; cyclopentane; (E)-3-cyclopentylbut-2-enoic acid; tris-p-tolylstibine Formula: C49H49Fe2O4Sb+4 MolecularWeight: 935.36096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[Sb](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.CC(=CC(=O)O)[C]1[CH][CH][CH][CH]1.CC(=CC(=O)O)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

Isomeric SMILES

CC1=CC=C(C=C1)[Sb](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.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.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/2C9H9O2.3C7H7.2C5H5.2Fe.Sb/c2*1-7(6-9(10)11)8-4-2-3-5-8;3*1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;;;/h2*2-6H,1H3,(H,10,11);3*3-6H,1H3;2*1-5H;;;/q;;;;;;;2*+2;