IUPAC Name :2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione
InChI :InChI=1/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
Std.InChI: InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
InChIKey :PQTBTIFWAXVEPB-UHFFFAOYAW
Std.InChIKey: PQTBTIFWAXVEPB-UHFFFAOYSA-N
SMILES :CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl
MDL: MFCD01632349
Molar Refractivity :75.71 ± 0.4 cm3 (est)
Parachor :623.1 ± 6.0 cm3 (est)
Index of Refraction :1.571 ± 0.02
(est)
Surface Tension :53.7 ± 3.0 dyne/cm (est)
Density :1.428 ± 0.06 g/cm3 (est)
Polarizability :30.01 ± 0.5 10-24cm3 (est)