tert-butyl N-[(R)-[2-[(R)-tert-butylsulfinyl]cyclopentyl]-(4-nitrophenyl)methyl]carbamate; cyclopentane; iron(2+)

Systemtic Name: tert-butyl N-[(R)-[2-[(R)-tert-butylsulfinyl]cyclopentyl]-(4-nitrophenyl)methyl]carbamate; cyclopentane; iron(2+) Openeye Name: ferrous; tert-butyl N-[(R)-[2-[(R)-tert-butylsulfinyl]cyclopentyl]-(4-nitrophenyl)methyl]carbamate; cyclopentane CAS Name: N-[(R)-[2-[(R)-tert-butylsulfinyl]cyclopentyl]-(4-nitrophenyl)methyl]carbamic acid tert-butyl ester; cyclopentane; iron(2+) IUPAC Name: tert-butyl N-[(R)-[2-[(R)-tert-butylsulfinyl]cyclopentyl]-(4-nitrophenyl)methyl]carbamate; cyclopentane; iron(2+) Traditional Name: ferrous; N-[(R)-[2-[(R)-tert-butylsulfinyl]cyclopentyl]-(4-nitrophenyl)methyl]carbamic acid tert-butyl ester; cyclopentane Formula: C26H32FeN2O5S+2 MolecularWeight: 540.45268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)[N+](=O)[O-])[C]2[CH][CH][CH][C]2S(=O)C(C)(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])[C]2[CH][CH][CH][C]2[S@@](=O)C(C)(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C21H27N2O5S.C5H5.Fe/c1-20(2,3)28-19(24)22-18(14-10-12-15(13-11-14)23(25)26)16-8-7-9-17(16)29(27)21(4,5)6;1-2-4-5-3-1;/h7-13,18H,1-6H3,(H,22,24);1-5H;/q;;+2/t18-,29+;;/m0../s1