2-[2-(4-tert-butylsulfanylphenyl)ethynyl]-5-cyclopentyl-thiophene; iron(2+)

Systemtic Name: 2-[2-(4-tert-butylsulfanylphenyl)ethynyl]-5-cyclopentyl-thiophene; iron(2+) Openeye Name: ferrous 2-[2-(4-tert-butylsulfanylphenyl)ethynyl]-5-cyclopentyl-thiophene CAS Name: 2-[2-[4-(tert-butylthio)phenyl]ethynyl]-5-cyclopentylthiophene; iron(2+) IUPAC Name: 2-[2-(4-tert-butylsulfanylphenyl)ethynyl]-5-cyclopentylthiophene; iron(2+) Traditional Name: ferrous 2-[2-[4-(tert-butylthio)phenyl]ethynyl]-5-cyclopentyl-thiophene Formula: C42H38FeS4+2 MolecularWeight: 726.85612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=C(C=C1)C#CC2=CC=C(S2)[C]3[CH][CH][CH][CH]3.CC(C)(C)SC1=CC=C(C=C1)C#CC2=CC=C(S2)[C]3[CH][CH][CH][CH]3.[Fe+2]

Isomeric SMILES

CC(C)(C)SC1=CC=C(C=C1)C#CC2=CC=C(S2)[C]3[CH][CH][CH][CH]3.CC(C)(C)SC1=CC=C(C=C1)C#CC2=CC=C(S2)[C]3[CH][CH][CH][CH]3.[Fe+2]

InChI

InChI=1S/2C21H19S2.Fe/c2*1-21(2,3)23-19-12-9-16(10-13-19)8-11-18-14-15-20(22-18)17-6-4-5-7-17;/h2*4-7,9-10,12-15H,1-3H3;/q;;+2