(2,6-dinitrophenyl)methyl 4-nitrobenzenesulfonate

Systemtic Name: (2,6-dinitrophenyl)methyl 4-nitrobenzenesulfonate Openeye Name: (2,6-dinitrophenyl)methyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2,6-dinitrophenyl)methyl ester IUPAC Name: (2,6-dinitrophenyl)methyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2,6-dinitrobenzyl) ester Formula: C13H9N3O9S MolecularWeight: 383.29026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O9S/c17-14(18)9-4-6-10(7-5-9)26(23,24)25-8-11-12(15(19)20)2-1-3-13(11)16(21)22/h1-7H,8H2