ethyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfonylethanoate

Systemtic Name: ethyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfonylethanoate Openeye Name: ethyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfonylacetate CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfonylacetate Traditional Name: 2-(4-mesyl-2-nitro-phenyl)sulfonylacetic acid ethyl ester Formula: C11H13NO8S2 MolecularWeight: 351.35282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO8S2/c1-3-20-11(13)7-22(18,19)10-5-4-8(21(2,16)17)6-9(10)12(14)15/h4-6H,3,7H2,1-2H3