[2-(2,4-dinitrophenyl)sulfanylcyclopentyl] ethanoate

Systemtic Name: [2-(2,4-dinitrophenyl)sulfanylcyclopentyl] ethanoate Openeye Name: [2-(2,4-dinitrophenyl)sulfanylcyclopentyl] acetate CAS Name: acetic acid [2-[(2,4-dinitrophenyl)thio]cyclopentyl] ester IUPAC Name: [2-(2,4-dinitrophenyl)sulfanylcyclopentyl] acetate Traditional Name: acetic acid [2-[(2,4-dinitrophenyl)thio]cyclopentyl] ester Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCC1SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1CCCC1SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6S/c1-8(16)21-11-3-2-4-13(11)22-12-6-5-9(14(17)18)7-10(12)15(19)20/h5-7,11,13H,2-4H2,1H3