IUPAC Name :(1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
InChI :InChI=1/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
Std.InChI: InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
InChIKey :UFCLZKMFXSILNL-PSEXTPKNBJ
Std.InChIKey: UFCLZKMFXSILNL-PSEXTPKNSA-N
SMILES :C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O
MDL: MFCD22375481
Molar Refractivity :123.93 ± 0.4 cm3 (est)
Parachor :1002.3 ± 6.0 cm3 (est)
Index of Refraction :1.719 ± 0.03
(est)
Surface Tension :103.9 ± 5.0 dyne/cm (est)
Density :1.64 ± 0.1 g/cm3 (est)
Polarizability :49.13 ± 0.5 10-24cm3 (est)