IUPAC Name :2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione
InChI :InChI=1/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
Std.InChI: InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
InChIKey :KPUREKXXPHOJQT-UHFFFAOYAN
Std.InChIKey: KPUREKXXPHOJQT-UHFFFAOYSA-N
SMILES :CS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C(=O)C2C(=O)CCCC2=O
MDL: MFCD04112617
Molar Refractivity :76.92 ± 0.4 cm3 (est)
Parachor :643.0 ± 6.0 cm3 (est)
Index of Refraction :1.583 ± 0.02
(est)
Surface Tension :61.0 ± 3.0 dyne/cm (est)
Density :1.474 ± 0.06 g/cm3 (est)
Polarizability :30.49 ± 0.5 10-24cm3 (est)