(2-methanoylthiophen-3-yl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (2-methanoylthiophen-3-yl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (2-formyl-3-thienyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (2-formyl-3-thiophenyl) ester IUPAC Name: (2-formylthiophen-3-yl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (2-formyl-3-thienyl) ester Formula: C12H9NO6S2 MolecularWeight: 327.33296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(SC=C2)C=O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(SC=C2)C=O

InChI

InChI=1S/C12H9NO6S2/c1-8-2-3-9(13(15)16)6-12(8)21(17,18)19-10-4-5-20-11(10)7-14/h2-7H,1H3