[dinitro(phenyl)methyl] 4-nitrobenzenesulfonate

Systemtic Name: [dinitro(phenyl)methyl] 4-nitrobenzenesulfonate Openeye Name: [dinitro(phenyl)methyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [dinitro(phenyl)methyl] ester IUPAC Name: [dinitro(phenyl)methyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [dinitro(phenyl)methyl] ester Formula: C13H9N3O9S MolecularWeight: 383.29026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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