(phenylmethyl) 3-nitropyridine-2-sulfonate

Systemtic Name: (phenylmethyl) 3-nitropyridine-2-sulfonate Openeye Name: benzyl 3-nitropyridine-2-sulfonate CAS Name: 3-nitro-2-pyridinesulfonic acid (phenylmethyl) ester IUPAC Name: benzyl 3-nitropyridine-2-sulfonate Traditional Name: 3-nitropyridine-2-sulfonic acid benzyl ester Formula: C12H10N2O5S MolecularWeight: 294.2832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COS(=O)(=O)C2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COS(=O)(=O)C2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O5S/c15-14(16)11-7-4-8-13-12(11)20(17,18)19-9-10-5-2-1-3-6-10/h1-8H,9H2