[nitro(phenyl)methyl] benzenesulfonate

Systemtic Name: [nitro(phenyl)methyl] benzenesulfonate Openeye Name: [nitro(phenyl)methyl] benzenesulfonate CAS Name: benzenesulfonic acid [nitro(phenyl)methyl] ester IUPAC Name: [nitro(phenyl)methyl] benzenesulfonate Traditional Name: benzenesulfonic acid [nitro(phenyl)methyl] ester Formula: C13H11NO5S MolecularWeight: 293.29514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO5S/c15-14(16)13(11-7-3-1-4-8-11)19-20(17,18)12-9-5-2-6-10-12/h1-10,13H