1-tert-butylsulfanyl-4-(2-cyclopentylethynyl)benzene; 2-cyclopentyl-5-(2-cyclopentylethynyl)thiophene; iron(2+)

Systemtic Name: 1-tert-butylsulfanyl-4-(2-cyclopentylethynyl)benzene; 2-cyclopentyl-5-(2-cyclopentylethynyl)thiophene; iron(2+) Openeye Name: triferrous; 1-tert-butylsulfanyl-4-(2-cyclopentylethynyl)benzene; 2-cyclopentyl-5-(2-cyclopentylethynyl)thiophene CAS Name: 1-(tert-butylthio)-4-(2-cyclopentylethynyl)benzene; 2-cyclopentyl-5-(2-cyclopentylethynyl)thiophene; iron(2+) IUPAC Name: 1-tert-butylsulfanyl-4-(2-cyclopentylethynyl)benzene; 2-cyclopentyl-5-(2-cyclopentylethynyl)thiophene; iron(2+) Traditional Name: triferrous; 1-(tert-butylthio)-4-(2-cyclopentylethynyl)benzene; 2-cyclopentyl-5-(2-cyclopentylethynyl)thiophene Formula: C66H54Fe3S4+6 MolecularWeight: 1142.92996

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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.[CH]1[CH][CH][C]([CH]1)C#CC2=CC=C(S2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][C]([CH]1)C#CC2=CC=C(S2)[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.[CH]1[CH][CH][C]([CH]1)C#CC2=CC=C(S2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][C]([CH]1)C#CC2=CC=C(S2)[C]3[CH][CH][CH][CH]3.[Fe+2].[Fe+2].[Fe+2]

InChI

InChI=1S/2C17H17S.2C16H10S.3Fe/c2*1-17(2,3)18-16-12-10-15(11-13-16)9-8-14-6-4-5-7-14;2*1-2-6-13(5-1)9-10-15-11-12-16(17-15)14-7-3-4-8-14;;;/h2*4-7,10-13H,1-3H3;2*1-8,11-12H;;;/q;;;;3*+2