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

Systemtic Name: (4-butylphenyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: (4-butylphenyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]acetic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]acetic acid (4-butylphenyl) ester Formula: C19H21NO6S2 MolecularWeight: 423.50314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC(=O)CSC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC(=O)CSC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21NO6S2/c1-3-4-5-14-6-8-15(9-7-14)26-19(21)13-27-18-11-10-16(28(2,24)25)12-17(18)20(22)23/h6-12H,3-5,13H2,1-2H3