4-[(2,4-dinitrophenyl)methyl]benzenesulfonate

Systemtic Name: 4-[(2,4-dinitrophenyl)methyl]benzenesulfonate Openeye Name: 4-[(2,4-dinitrophenyl)methyl]benzenesulfonate CAS Name: 4-[(2,4-dinitrophenyl)methyl]benzenesulfonate IUPAC Name: 4-[(2,4-dinitrophenyl)methyl]benzenesulfonate Traditional Name: 4-(2,4-dinitrobenzyl)besylate Formula: C13H9N2O7S- MolecularWeight: 337.28476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-]

InChI

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