[(1R,2R)-2-(2,4-dinitrophenyl)sulfanylcyclooctyl] ethanoate

Systemtic Name: [(1R,2R)-2-(2,4-dinitrophenyl)sulfanylcyclooctyl] ethanoate Openeye Name: [(1R,2R)-2-(2,4-dinitrophenyl)sulfanylcyclooctyl] acetate CAS Name: acetic acid [(1R,2R)-2-[(2,4-dinitrophenyl)thio]cyclooctyl] ester IUPAC Name: [(1R,2R)-2-(2,4-dinitrophenyl)sulfanylcyclooctyl] acetate Traditional Name: acetic acid [(1R,2R)-2-[(2,4-dinitrophenyl)thio]cyclooctyl] ester Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCCCCC1SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)O[C@@H]1CCCCCC[C@H]1SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O6S/c1-11(19)24-14-6-4-2-3-5-7-16(14)25-15-9-8-12(17(20)21)10-13(15)18(22)23/h8-10,14,16H,2-7H2,1H3/t14-,16-/m1/s1