IUPAC Name :(1S,2S,3S,4R)-1,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-2,3-dihydroxycyclohexane-1-carboxylic acid
InChI :InChI=1/C25H24O12/c26-15-5-1-13(11-17(15)28)3-7-20(30)36-19-9-10-25(24(34)35,23(33)22(19)32)37-21(31)8-4-14-2-6-16(27)18(29)12-14/h1-8,11-12,19,22-23,26-29,32-33H,9-10H2,(H,34,35)/b7-3+,8-4+/t19-,22-,23+,25+/m1/s1
Std.InChI: InChI=1S/C25H24O12/c26-15-5-1-13(11-17(15)28)3-7-20(30)36-19-9-10-25(24(34)35,23(33)22(19)32)37-21(31)8-4-14-2-6-16(27)18(29)12-14/h1-8,11-12,19,22-23,26-29,32-33H,9-10H2,(H,34,35)/b7-3+,8-4+/t19-,22-,23+,25+/m1/s1
InChIKey :AGWPABZXEMVRNE-ZFNQUHTLBB
Std.InChIKey: AGWPABZXEMVRNE-ZFNQUHTLSA-N
SMILES :C1C[C@]([C@H]([C@@H]([C@@H]1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)(C(=O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O
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)