IUPAC Name :3,4-dihydroxy-5-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid
InChI :InChI=1/C22H30O4/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-13-19(22(25)26)14-20(23)21(18)24/h7,9,11,13-14,23-24H,5-6,8,10,12H2,1-4H3,(H,25,26)/b16-9-,17-11+
Std.InChI: InChI=1S/C22H30O4/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-13-19(22(25)26)14-20(23)21(18)24/h7,9,11,13-14,23-24H,5-6,8,10,12H2,1-4H3,(H,25,26)/b16-9-,17-11+
InChIKey :VWHKYMBCXCSQEZ-KKYJLSSQBT
Std.InChIKey: VWHKYMBCXCSQEZ-KKYJLSSQSA-N
SMILES :CC(=CCC/C(=C\CC/C(=C/CC1=C(C(=CC(=C1)C(=O)O)O)O)/C)/C)C
Molar Refractivity :106.42 ± 0.3 cm3 (est)
Parachor :843.4 ± 4.0 cm3 (est)
Index of Refraction :1.565 ± 0.02
(est)
Surface Tension :44.5 ± 3.0 dyne/cm (est)
Density :1.098 ± 0.06 g/cm3 (est)
Polarizability :42.18 ± 0.5 10-24cm3 (est)