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

Systemtic Name: 1-tert-butylsulfanyl-4-(2-cyclopentylethynyl)benzene; 1-cyclopentyl-4-(2-cyclopentylethynyl)benzene; 1-cyclopentyl-4-ethynyl-benzene; iron(2+) Openeye Name: diferrous; 1-tert-butylsulfanyl-4-(2-cyclopentylethynyl)benzene; 1-cyclopentyl-4-(2-cyclopentylethynyl)benzene; 1-cyclopentyl-4-ethynyl-benzene CAS Name: 1-(tert-butylthio)-4-(2-cyclopentylethynyl)benzene; 1-cyclopentyl-4-(2-cyclopentylethynyl)benzene; 1-cyclopentyl-4-ethynylbenzene; iron(2+) IUPAC Name: 1-tert-butylsulfanyl-4-(2-cyclopentylethynyl)benzene; 1-cyclopentyl-4-(2-cyclopentylethynyl)benzene; 1-cyclopentyl-4-ethynylbenzene; iron(2+) Traditional Name: diferrous; 1-(tert-butylthio)-4-(2-cyclopentylethynyl)benzene; 1-cyclopentyl-4-(2-cyclopentylethynyl)benzene; 1-cyclopentyl-4-ethynyl-benzene Formula: C48H38Fe2S+4 MolecularWeight: 758.57032

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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.C#CC1=CC=C(C=C1)[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.[Fe+2].[Fe+2]

Isomeric SMILES

CC(C)(C)SC1=CC=C(C=C1)C#C[C]2[CH][CH][CH][CH]2.C#CC1=CC=C(C=C1)[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.[Fe+2].[Fe+2]

InChI

InChI=1S/C18H12.C17H17S.C13H9.2Fe/c1-2-6-15(5-1)9-10-16-11-13-18(14-12-16)17-7-3-4-8-17;1-17(2,3)18-16-12-10-15(11-13-16)9-8-14-6-4-5-7-14;1-2-11-7-9-13(10-8-11)12-5-3-4-6-12;;/h1-8,11-14H;4-7,10-13H,1-3H3;1,3-10H;;/q;;;2*+2