cyclopentane; iron(2+); N-[1-oxidanyl-3-phenyl-2-(phenylmethyl)propan-2-yl]-2-phenylsulfanyl-cyclopentane-1-carboxamide

Systemtic Name: cyclopentane; iron(2+); N-[1-oxidanyl-3-phenyl-2-(phenylmethyl)propan-2-yl]-2-phenylsulfanyl-cyclopentane-1-carboxamide Openeye Name: ferrous; cyclopentane; N-(1,1-dibenzyl-2-hydroxy-ethyl)-2-phenylsulfanyl-cyclopentanecarboxamide CAS Name: cyclopentane; N-[1-hydroxy-3-phenyl-2-(phenylmethyl)propan-2-yl]-2-(phenylthio)-1-cyclopentanecarboxamide; iron(2+) IUPAC Name: N-(2-benzyl-1-hydroxy-3-phenylpropan-2-yl)-2-phenylsulfanylcyclopentane-1-carboxamide; cyclopentane; iron(2+) Traditional Name: ferrous; cyclopentane; N-(1,1-dibenzyl-2-hydroxy-ethyl)-2-(phenylthio)cyclopentanecarboxamide Formula: C33H31FeNO2S+2 MolecularWeight: 561.51474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(CO)NC(=O)[C]3[CH][CH][CH][C]3SC4=CC=CC=C4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(CO)NC(=O)[C]3[CH][CH][CH][C]3SC4=CC=CC=C4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C28H26NO2S.C5H5.Fe/c30-21-28(19-22-11-4-1-5-12-22,20-23-13-6-2-7-14-23)29-27(31)25-17-10-18-26(25)32-24-15-8-3-9-16-24;1-2-4-5-3-1;/h1-18,30H,19-21H2,(H,29,31);1-5H;/q;;+2