(2S,6S)-2-methyl-6-[(R)-(4-nitrophenyl)-oxidanyl-methyl]cyclohexan-1-one

Systemtic Name: (2S,6S)-2-methyl-6-[(R)-(4-nitrophenyl)-oxidanyl-methyl]cyclohexan-1-one Openeye Name: (2S,6S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]-6-methyl-cyclohexanone CAS Name: (2S,6S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]-6-methyl-1-cyclohexanone IUPAC Name: (2S,6S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]-6-methylcyclohexan-1-one Traditional Name: (2S,6S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]-6-methyl-cyclohexanone Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1=O)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C[C@H]1CCC[C@H](C1=O)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H17NO4/c1-9-3-2-4-12(13(9)16)14(17)10-5-7-11(8-6-10)15(18)19/h5-9,12,14,17H,2-4H2,1H3/t9-,12+,14-/m0/s1