[(1R,2S)-2-(2-tert-butylsulfanyl-2-oxidanylidene-ethyl)cyclohexyl] 4-nitrobenzoate

Systemtic Name: [(1R,2S)-2-(2-tert-butylsulfanyl-2-oxidanylidene-ethyl)cyclohexyl] 4-nitrobenzoate Openeye Name: [(1R,2S)-2-(2-tert-butylsulfanyl-2-oxo-ethyl)cyclohexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,2S)-2-[2-(tert-butylthio)-2-oxoethyl]cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(2-tert-butylsulfanyl-2-oxoethyl)cyclohexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,2S)-2-[2-(tert-butylthio)-2-keto-ethyl]cyclohexyl] ester Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)CC1CCCCC1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5S/c1-19(2,3)26-17(21)12-14-6-4-5-7-16(14)25-18(22)13-8-10-15(11-9-13)20(23)24/h8-11,14,16H,4-7,12H2,1-3H3/t14-,16+/m0/s1