(2,6-dinitrophenyl)methyl benzenesulfonate

Systemtic Name: (2,6-dinitrophenyl)methyl benzenesulfonate Openeye Name: (2,6-dinitrophenyl)methyl benzenesulfonate CAS Name: benzenesulfonic acid (2,6-dinitrophenyl)methyl ester IUPAC Name: (2,6-dinitrophenyl)methyl benzenesulfonate Traditional Name: benzenesulfonic acid (2,6-dinitrobenzyl) ester Formula: C13H10N2O7S MolecularWeight: 338.2927

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O7S/c16-14(17)12-7-4-8-13(15(18)19)11(12)9-22-23(20,21)10-5-2-1-3-6-10/h1-8H,9H2