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(2S)-2-[(1R)-2-nitro-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-one
(2S)-2-[(1R)-2-nitro-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-one
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Descriptors Computed from Structure
Canonical SMILES:
C1CCC(=O)C(C1)C(C[N+](=O)[O-])C2=CC=C(C=C2)OCC3=CC=CC=C3
Isomeric SMILES
C1CCC(=O)[C@@H](C1)[C@@H](C[N+](=O)[O-])C2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C21H23NO4/c23-21-9-5-4-8-19(21)20(14-22(24)25)17-10-12-18(13-11-17)26-15-16-6-2-1-3-7-16/h1-3,6-7,10-13,19-20H,4-5,8-9,14-15H2/t19-,20-/m0/s1
Other Product
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- 3-(3-hydroxyphenyl)propanoic acid
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