IUPAC Name :3,4-dihydroxy-5-[(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)oxy]benzoic acid
InChI :InChI=1/C21H10O13/c22-6-1-4(19(28)29)2-8(12(6)24)32-18-11-10-9-5(20(30)33-17(10)14(26)15(18)27)3-7(23)13(25)16(9)34-21(11)31/h1-3,22-27H,(H,28,29)
Std.InChI: InChI=1S/C21H10O13/c22-6-1-4(19(28)29)2-8(12(6)24)32-18-11-10-9-5(20(30)33-17(10)14(26)15(18)27)3-7(23)13(25)16(9)34-21(11)31/h1-3,22-27H,(H,28,29)
InChIKey :DBLLWHYTKRSJEV-UHFFFAOYAY
Std.InChIKey: DBLLWHYTKRSJEV-UHFFFAOYSA-N
SMILES :C1=C(C=C(C(=C1O)O)OC2=C(C(=C3C4=C2C(=O)OC5=C4C(=CC(=C5O)O)C(=O)O3)O)O)C(=O)O
Molar Refractivity :104.88 ± 0.3 cm3 (est)
Parachor :786.6 ± 6.0 cm3 (est)
Index of Refraction :1.895 ± 0.02
(est)
Surface Tension :146.2 ± 3.0 dyne/cm (est)
Density :2.079 ± 0.06 g/cm3 (est)
Polarizability :41.57 ± 0.5 10-24cm3 (est)