iron(2+); 2-methyl-5-(phenylsulfanylmethyl)pyrrole; 1,2,3,4,5-pentamethylcyclopentane

Systemtic Name: iron(2+); 2-methyl-5-(phenylsulfanylmethyl)pyrrole; 1,2,3,4,5-pentamethylcyclopentane Openeye Name: ferrous; 2-methyl-5-(phenylsulfanylmethyl)pyrrole; 1,2,3,4,5-pentamethylcyclopentane CAS Name: iron(2+); 2-methyl-5-[(phenylthio)methyl]pyrrole; 1,2,3,4,5-pentamethylcyclopentane IUPAC Name: iron(2+); 2-methyl-5-(phenylsulfanylmethyl)pyrrole; 1,2,3,4,5-pentamethylcyclopentane Traditional Name: ferrous; 2-methyl-5-[(phenylthio)methyl]pyrrole; 1,2,3,4,5-pentamethylcyclopentane Formula: C22H27FeNS+2 MolecularWeight: 393.36648

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[CH][CH][C]([N]1)CSC2=CC=CC=C2.C[C]1[C]([C]([C]([C]1C)C)C)C.[Fe+2]

Isomeric SMILES

C[C]1[CH][CH][C]([N]1)CSC2=CC=CC=C2.C[C]1[C]([C]([C]([C]1C)C)C)C.[Fe+2]

InChI

InChI=1S/C12H12NS.C10H15.Fe/c1-10-7-8-11(13-10)9-14-12-5-3-2-4-6-12;1-6-7(2)9(4)10(5)8(6)3;/h2-8H,9H2,1H3;1-5H3;/q;;+2