cyclopentane; 1,3-di(cyclopentyl)-2-benzothiophene; iron(2+)

Systemtic Name: cyclopentane; 1,3-di(cyclopentyl)-2-benzothiophene; iron(2+) Openeye Name: diferrous; cyclopentane; 1,3-di(cyclopentyl)-2-benzothiophene CAS Name: cyclopentane; 1,3-di(cyclopentyl)-2-benzothiophene; iron(2+) IUPAC Name: cyclopentane; 1,3-di(cyclopentyl)-2-benzothiophene; iron(2+) Traditional Name: diferrous; cyclopentane; 1,3-di(cyclopentyl)isobenzothiophene Formula: C28H22Fe2S+4 MolecularWeight: 502.22928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(SC(=C2C=C1)[C]3[CH][CH][CH][CH]3)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

Isomeric SMILES

C1=CC2=C(SC(=C2C=C1)[C]3[CH][CH][CH][CH]3)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C18H12S.2C5H5.2Fe/c1-2-8-13(7-1)17-15-11-5-6-12-16(15)18(19-17)14-9-3-4-10-14;2*1-2-4-5-3-1;;/h1-12H;2*1-5H;;/q;;;2*+2