cyclopentane; iron(2+); (4S)-4-[(N-methyl-S-phenyl-sulfonimidoyl)methyl]-6,7-dihydro-5H-inden-4-ol

Systemtic Name: cyclopentane; iron(2+); (4S)-4-[(N-methyl-S-phenyl-sulfonimidoyl)methyl]-6,7-dihydro-5H-inden-4-ol Openeye Name: ferrous; cyclopentane; (4S)-4-[(N-methyl-S-phenyl-sulfonimidoyl)methyl]-6,7-dihydro-5H-inden-4-ol CAS Name: cyclopentane; iron(2+); (4S)-4-[(N-methyl-S-phenylsulfonimidoyl)methyl]-6,7-dihydro-5H-inden-4-ol IUPAC Name: cyclopentane; iron(2+); (4S)-4-[(N-methyl-S-phenylsulfonimidoyl)methyl]-6,7-dihydro-5H-inden-4-ol Traditional Name: ferrous; cyclopentane; (4S)-4-[(N-methyl-S-phenyl-sulfonimidoyl)methyl]-6,7-dihydro-5H-inden-4-ol Formula: C22H25FeNO2S+2 MolecularWeight: 423.3494

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Descriptors Computed from Structure

Canonical SMILES:

CN=S(=O)(CC1(CCC[C]2[C]1[CH][CH][CH]2)O)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CN=[S@@](=O)(C[C@@]1(CCC[C]2[C]1[CH][CH][CH]2)O)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C17H20NO2S.C5H5.Fe/c1-18-21(20,15-9-3-2-4-10-15)13-17(19)12-6-8-14-7-5-11-16(14)17;1-2-4-5-3-1;/h2-5,7,9-11,19H,6,8,12-13H2,1H3;1-5H;/q;;+2/t17-,21-;;/m1../s1