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

Systemtic Name: (2S,4S)-2-[(R)-(4-nitrophenyl)-oxidanyl-methyl]-4-pentyl-cyclohexan-1-one Openeye Name: (2S,4S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]-4-pentyl-cyclohexanone CAS Name: (2S,4S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]-4-pentyl-1-cyclohexanone IUPAC Name: (2S,4S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]-4-pentylcyclohexan-1-one Traditional Name: (2S,4S)-4-amyl-2-[(R)-hydroxy-(4-nitrophenyl)methyl]cyclohexanone Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(=O)C(C1)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4/c1-2-3-4-5-13-6-11-17(20)16(12-13)18(21)14-7-9-15(10-8-14)19(22)23/h7-10,13,16,18,21H,2-6,11-12H2,1H3/t13-,16+,18-/m0/s1