[(1R,2R)-2-(2,4-dinitrophenyl)sulfanylcyclohexyl] methanoate

Systemtic Name: [(1R,2R)-2-(2,4-dinitrophenyl)sulfanylcyclohexyl] methanoate Openeye Name: [(1R,2R)-2-(2,4-dinitrophenyl)sulfanylcyclohexyl] formate CAS Name: formic acid [(1R,2R)-2-[(2,4-dinitrophenyl)thio]cyclohexyl] ester IUPAC Name: [(1R,2R)-2-(2,4-dinitrophenyl)sulfanylcyclohexyl] formate Traditional Name: formic acid [(1R,2R)-2-[(2,4-dinitrophenyl)thio]cyclohexyl] ester Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)OC=O)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@@H](C1)OC=O)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6S/c16-8-21-11-3-1-2-4-13(11)22-12-6-5-9(14(17)18)7-10(12)15(19)20/h5-8,11,13H,1-4H2/t11-,13-/m1/s1