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

Systemtic Name: [(1R,2R)-2-(2,4-dinitrophenyl)sulfanylcyclooctyl] methanoate Openeye Name: [(1R,2R)-2-(2,4-dinitrophenyl)sulfanylcyclooctyl] formate CAS Name: formic acid [(1R,2R)-2-[(2,4-dinitrophenyl)thio]cyclooctyl] ester IUPAC Name: [(1R,2R)-2-(2,4-dinitrophenyl)sulfanylcyclooctyl] formate Traditional Name: formic acid [(1R,2R)-2-[(2,4-dinitrophenyl)thio]cyclooctyl] ester Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(C(CC1)OC=O)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC[C@H]([C@@H](CC1)OC=O)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6S/c18-10-23-13-5-3-1-2-4-6-15(13)24-14-8-7-11(16(19)20)9-12(14)17(21)22/h7-10,13,15H,1-6H2/t13-,15-/m1/s1