nitromethylbenzene sulfate

Systemtic Name: nitromethylbenzene sulfate Openeye Name: nitromethylbenzene sulfate CAS Name: nitromethylbenzene sulfate IUPAC Name: nitromethylbenzene sulfate Traditional Name: nitromethylbenzene sulfate Formula: C7H7NO6S-2 MolecularWeight: 233.19858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO2.H2O4S/c9-8(10)6-7-4-2-1-3-5-7;1-5(2,3)4/h1-5H,6H2;(H2,1,2,3,4)/p-2