3-nitro-2-[[(2S)-oxiran-2-yl]methyl]benzenesulfonic acid

Systemtic Name: 3-nitro-2-[[(2S)-oxiran-2-yl]methyl]benzenesulfonic acid Openeye Name: 3-nitro-2-[[(2S)-oxiran-2-yl]methyl]benzenesulfonic acid CAS Name: 3-nitro-2-[[(2S)-2-oxiranyl]methyl]benzenesulfonic acid IUPAC Name: 3-nitro-2-[[(2S)-oxiran-2-yl]methyl]benzenesulfonic acid Traditional Name: 3-nitro-2-[[(2S)-oxiran-2-yl]methyl]besylic acid Formula: C9H9NO6S MolecularWeight: 259.23586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)CC2=C(C=CC=C2S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H](O1)CC2=C(C=CC=C2S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H9NO6S/c11-10(12)8-2-1-3-9(17(13,14)15)7(8)4-6-5-16-6/h1-3,6H,4-5H2,(H,13,14,15)/t6-/m0/s1