cyclopentane; 4-cyclopentylbenzoic acid; iron(2+); tris(4-methylphenyl)stibane

Systemtic Name: cyclopentane; 4-cyclopentylbenzoic acid; iron(2+); tris(4-methylphenyl)stibane Openeye Name: diferrous; cyclopentane; 4-cyclopentylbenzoic acid; tris-p-tolylstibane CAS Name: cyclopentane; 4-cyclopentylbenzoic acid; iron(2+); tris(4-methylphenyl)stibine IUPAC Name: cyclopentane; 4-cyclopentylbenzoic acid; iron(2+); tris(4-methylphenyl)stibane Traditional Name: diferrous; cyclopentane; 4-cyclopentylbenzoic acid; tris-p-tolylstibine Formula: C55H49Fe2O4Sb+4 MolecularWeight: 1007.42516

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

InChI

InChI=1S/2C12H9O2.3C7H7.2C5H5.2Fe.Sb/c2*13-12(14)11-7-5-10(6-8-11)9-3-1-2-4-9;3*1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;;;/h2*1-8H,(H,13,14);3*3-6H,1H3;2*1-5H;;;/q;;;;;;;2*+2;