IUPAC Name :4-(3-carboxypropanoyloxy)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid
InChI :InChI=1/C29H28O15/c30-17-5-1-15(11-19(17)32)3-8-24(36)42-21-13-29(41,28(39)40)14-22(27(21)44-26(38)10-7-23(34)35)43-25(37)9-4-16-2-6-18(31)20(33)12-16/h1-6,8-9,11-12,21-22,27,30-33,41H,7,10,13-14H2,(H,34,35)(H,39,40)/b8-3+,9-4+
Std.InChI: InChI=1S/C29H28O15/c30-17-5-1-15(11-19(17)32)3-8-24(36)42-21-13-29(41,28(39)40)14-22(27(21)44-26(38)10-7-23(34)35)43-25(37)9-4-16-2-6-18(31)20(33)12-16/h1-6,8-9,11-12,21-22,27,30-33,41H,7,10,13-14H2,(H,34,35)(H,39,40)/b8-3+,9-4+
InChIKey :DNZQDZDGNZZGCU-BQYBEJQRBF
Std.InChIKey: DNZQDZDGNZZGCU-BQYBEJQRSA-N
SMILES :C1C(CC(C(C1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)CCC(=O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(O)C(=O)O
Molar Refractivity :144.43 ± 0.4 cm3 (est)
Parachor :1193.3 ± 6.0 cm3 (est)
Index of Refraction :1.690 ± 0.03
(est)
Surface Tension :99.7 ± 5.0 dyne/cm (est)
Density :1.63 ± 0.1 g/cm3 (est)
Polarizability :57.25 ± 0.5 10-24cm3 (est)