IUPAC Name :(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
InChI :InChI=1/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
Std.InChI: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
InChIKey :CWVRJTMFETXNAD-JUHZACGLBD
Std.InChIKey: CWVRJTMFETXNAD-JUHZACGLSA-N
SMILES :O=C(O)[C@]2(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C2
MDL: MFCD00003862
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)