IUPAC Name :(2R)-2-[(E)-3-[4-[(Z)-1-carboxy-2-(3,4-dihydroxyphenyl)ethenoxy]-3-hydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
InChI :InChI=1/C27H22O12/c28-17-5-1-15(10-19(17)30)12-23(26(34)35)38-22-7-3-14(9-21(22)32)4-8-25(33)39-24(27(36)37)13-16-2-6-18(29)20(31)11-16/h1-12,24,28-32H,13H2,(H,34,35)(H,36,37)/b8-4+,23-12-/t24-/m1/s1
Std.InChI: InChI=1S/C27H22O12/c28-17-5-1-15(10-19(17)30)12-23(26(34)35)38-22-7-3-14(9-21(22)32)4-8-25(33)39-24(27(36)37)13-16-2-6-18(29)20(31)11-16/h1-12,24,28-32H,13H2,(H,34,35)(H,36,37)/b8-4+,23-12-/t24-/m1/s1
InChIKey :MZSGWZGPESCJAN-RAXODLQLBI
Std.InChIKey: MZSGWZGPESCJAN-RAXODLQLSA-N
SMILES :C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O/C(=C\C3=CC(=C(C=C3)O)O)/C(=O)O)O)O)O
Molar Refractivity :136.78 ± 0.3 cm3 (est)
Parachor :1033.6 ± 4.0 cm3 (est)
Index of Refraction :1.752 ± 0.02
(est)
Surface Tension :90.5 ± 3.0 dyne/cm (est)
Density :1.607 ± 0.06 g/cm3 (est)
Polarizability :54.22 ± 0.5 10-24cm3 (est)