(5-methyl-2-propan-2-yl-phenyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]acetic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]acetic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C19H21NO6S2 MolecularWeight: 423.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)CSC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)CSC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21NO6S2/c1-12(2)15-7-5-13(3)9-17(15)26-19(21)11-27-18-8-6-14(28(4,24)25)10-16(18)20(22)23/h5-10,12H,11H2,1-4H3