IUPAC Name :1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxycyclohexane-1-carboxylic acid
InChI :InChI=1/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+
Std.InChI: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+
InChIKey :GWTUHAXUUFROTF-DUXPYHPUBG
Std.InChIKey: GWTUHAXUUFROTF-DUXPYHPUSA-N
SMILES :O=C(O)C2(OC(=O)\C=C\c1ccc(O)c(O)c1)CC(O)C(O)C(O)C2
Molar Refractivity :82.03 ± 0.4 cm3 (est)
Parachor :681.7 ± 6.0 cm3 (est)
Index of Refraction :1.690 ± 0.03
(est)
Surface Tension :101.9 ± 5.0 dyne/cm (est)
Density :1.65 ± 0.1 g/cm3 (est)
Polarizability :32.52 ± 0.5 10-24cm3 (est)