2-nitropropan-2-yl thiophene-2-sulfonate

Systemtic Name: 2-nitropropan-2-yl thiophene-2-sulfonate Openeye Name: (1-methyl-1-nitro-ethyl) thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid 2-nitropropan-2-yl ester IUPAC Name: 2-nitropropan-2-yl thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid (1-methyl-1-nitro-ethyl) ester Formula: C7H9NO5S2 MolecularWeight: 251.28006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)([N+](=O)[O-])OS(=O)(=O)C1=CC=CS1

Isomeric SMILES

CC(C)([N+](=O)[O-])OS(=O)(=O)C1=CC=CS1

InChI

InChI=1S/C7H9NO5S2/c1-7(2,8(9)10)13-15(11,12)6-4-3-5-14-6/h3-5H,1-2H3