2-[(2,6-dinitrophenyl)methyl]benzenesulfonate

Systemtic Name: 2-[(2,6-dinitrophenyl)methyl]benzenesulfonate Openeye Name: 2-[(2,6-dinitrophenyl)methyl]benzenesulfonate CAS Name: 2-[(2,6-dinitrophenyl)methyl]benzenesulfonate IUPAC Name: 2-[(2,6-dinitrophenyl)methyl]benzenesulfonate Traditional Name: 2-(2,6-dinitrobenzyl)besylate Formula: C13H9N2O7S- MolecularWeight: 337.28476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-]

InChI

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