butyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: butyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: butyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]acetic acid butyl ester IUPAC Name: butyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]acetic acid butyl ester Formula: C13H17NO6S2 MolecularWeight: 347.40718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO6S2/c1-3-4-7-20-13(15)9-21-12-6-5-10(22(2,18)19)8-11(12)14(16)17/h5-6,8H,3-4,7,9H2,1-2H3