2-ethoxyethyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate

Systemtic Name: 2-ethoxyethyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate Openeye Name: 2-ethoxyethyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylacetate CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate Traditional Name: 2-(4-mesyl-2-nitro-phenyl)sulfinylacetic acid 2-ethoxyethyl ester Formula: C13H17NO8S2 MolecularWeight: 379.40598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO8S2/c1-3-21-6-7-22-13(15)9-23(18)12-5-4-10(24(2,19)20)8-11(12)14(16)17/h4-5,8H,3,6-7,9H2,1-2H3