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

Systemtic Name: (2R,4S)-2-[(S)-(4-nitrophenyl)-oxidanyl-methyl]-4-propyl-cyclohexan-1-one Openeye Name: (2R,4S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]-4-propyl-cyclohexanone CAS Name: (2R,4S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]-4-propyl-1-cyclohexanone IUPAC Name: (2R,4S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]-4-propylcyclohexan-1-one Traditional Name: (2R,4S)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]-4-propyl-cyclohexanone Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(=O)C(C1)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-2-3-11-4-9-15(18)14(10-11)16(19)12-5-7-13(8-6-12)17(20)21/h5-8,11,14,16,19H,2-4,9-10H2,1H3/t11-,14-,16+/m0/s1