[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 5-nitrothiophene-2-carboxylate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=C(S2)[N+](=O)[O-])C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C2=CC=C(S2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C15H21NO4S/c1-9(2)11-5-4-10(3)8-12(11)20-15(17)13-6-7-14(21-13)16(18)19/h6-7,9-12H,4-5,8H2,1-3H3/t10-,11+,12-/m0/s1