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[(1S,3S)-3-fluoranyl-3-methyl-cyclohexyl] 4-nitrobenzoate

[(1S,3S)-3-fluoranyl-3-methyl-cyclohexyl] 4-nitrobenzoate

Systemtic Name:[(1S,3S)-3-fluoranyl-3-methyl-cyclohexyl] 4-nitrobenzoate
Openeye Name:[(1S,3S)-3-fluoro-3-methyl-cyclohexyl] 4-nitrobenzoate
CAS Name:4-nitrobenzoic acid [(1S,3S)-3-fluoro-3-methylcyclohexyl] ester
IUPAC Name:[(1S,3S)-3-fluoro-3-methylcyclohexyl] 4-nitrobenzoate
Traditional Name:4-nitrobenzoic acid [(1S,3S)-3-fluoro-3-methyl-cyclohexyl] ester
Formula: C14H16FNO4
MolecularWeight: 281.279543
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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])F


Isomeric SMILES

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


InChI

InChI=1S/C14H16FNO4/c1-14(15)8-2-3-12(9-14)20-13(17)10-4-6-11(7-5-10)16(18)19/h4-7,12H,2-3,8-9H2,1H3/t12-,14-/m0/s1


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