IUPAC Name :[(1S,2R,5S,6R)-5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl]methyl benzoate
InChI :InChI=1/C21H20O7/c22-17-12-11-16(28-20(25)15-9-5-2-6-10-15)18(23)21(17,26)13-27-19(24)14-7-3-1-4-8-14/h1-12,16-18,22-23,26H,13H2/t16-,17+,18+,21-/m0/s1
Std.InChI: InChI=1S/C21H20O7/c22-17-12-11-16(28-20(25)15-9-5-2-6-10-15)18(23)21(17,26)13-27-19(24)14-7-3-1-4-8-14/h1-12,16-18,22-23,26H,13H2/t16-,17+,18+,21-/m0/s1
InChIKey :AWCUZBLYCWUTRL-OOSNJVJTBZ
Std.InChIKey: AWCUZBLYCWUTRL-OOSNJVJTSA-N
SMILES :C1=CC=C(C=C1)C(=O)OC[C@@]2([C@@H](C=C[C@@H]([C@H]2O)OC(=O)C3=CC=CC=C3)O)O
Molar Refractivity :99.26 ± 0.4 cm3 (est)
Parachor :788.4 ± 6.0 cm3 (est)
Index of Refraction :1.649 ± 0.03
(est)
Surface Tension :70.3 ± 5.0 dyne/cm (est)
Density :1.41 ± 0.1 g/cm3 (est)
Polarizability :39.35 ± 0.5 10-24cm3 (est)