IUPAC Name :(1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-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(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/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(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
InChIKey :YDDUMTOHNYZQPO-RVXRWRFUBT
Std.InChIKey: YDDUMTOHNYZQPO-RVXRWRFUSA-N
SMILES :c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)OC(=O)/C=C/c3ccc(c(c3)O)O)O)O
MDL: MFCD11112054
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)