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

Systemtic Name: 2-cyanoethyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate Openeye Name: 2-cyanoethyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylacetate CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate Traditional Name: 2-(4-mesyl-2-nitro-phenyl)sulfinylacetic acid 2-cyanoethyl ester Formula: C12H12N2O7S2 MolecularWeight: 360.36288

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OCCC#N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O7S2/c1-23(19,20)9-3-4-11(10(7-9)14(16)17)22(18)8-12(15)21-6-2-5-13/h3-4,7H,2,6,8H2,1H3