1-tert-butylsulfanyl-4-(2-cyclopentylethynyl)benzene; 1-cyclopentyl-4-(2-cyclopentylethynyl)benzene; iron(2+)

Systemtic Name: 1-tert-butylsulfanyl-4-(2-cyclopentylethynyl)benzene; 1-cyclopentyl-4-(2-cyclopentylethynyl)benzene; iron(2+) Openeye Name: triferrous; 1-tert-butylsulfanyl-4-(2-cyclopentylethynyl)benzene; 1-cyclopentyl-4-(2-cyclopentylethynyl)benzene CAS Name: 1-(tert-butylthio)-4-(2-cyclopentylethynyl)benzene; 1-cyclopentyl-4-(2-cyclopentylethynyl)benzene; iron(2+) IUPAC Name: 1-tert-butylsulfanyl-4-(2-cyclopentylethynyl)benzene; 1-cyclopentyl-4-(2-cyclopentylethynyl)benzene; iron(2+) Traditional Name: triferrous; 1-(tert-butylthio)-4-(2-cyclopentylethynyl)benzene; 1-cyclopentyl-4-(2-cyclopentylethynyl)benzene Formula: C70H58Fe3S2+6 MolecularWeight: 1130.87452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=C(C=C1)C#C[C]2[CH][CH][CH][CH]2.CC(C)(C)SC1=CC=C(C=C1)C#C[C]2[CH][CH][CH][CH]2.C1=CC(=CC=C1C#C[C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3.C1=CC(=CC=C1C#C[C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3.[Fe+2].[Fe+2].[Fe+2]

Isomeric SMILES

CC(C)(C)SC1=CC=C(C=C1)C#C[C]2[CH][CH][CH][CH]2.CC(C)(C)SC1=CC=C(C=C1)C#C[C]2[CH][CH][CH][CH]2.C1=CC(=CC=C1C#C[C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3.C1=CC(=CC=C1C#C[C]2[CH][CH][CH][CH]2)[C]3[CH][CH][CH][CH]3.[Fe+2].[Fe+2].[Fe+2]

InChI

InChI=1S/2C18H12.2C17H17S.3Fe/c2*1-2-6-15(5-1)9-10-16-11-13-18(14-12-16)17-7-3-4-8-17;2*1-17(2,3)18-16-12-10-15(11-13-16)9-8-14-6-4-5-7-14;;;/h2*1-8,11-14H;2*4-7,10-13H,1-3H3;;;/q;;;;3*+2