IUPAC Name :benzoicacid;(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI :InChI=1/C68H54O19/c69-59(44-25-9-1-10-26-44)77-41-52-54(81-62(72)47-31-15-4-16-32-47)56(83-64(74)49-35-19-6-20-36-49)57(84-65(75)50-37-21-7-22-38-50)67(80-52)87-68(43-79-61(71)46-29-13-3-14-30-46)58(85-66(76)51-39-23-8-24-40-51)55(82-63(73)48-33-17-5-18-34-48)53(86-68)42-78-60(70)45-27-11-2-12-28-45/h1-40,52-58,67H,41-43H2
Std.InChI: InChI=1S/C68H54O19/c69-59(44-25-9-1-10-26-44)77-41-52-54(81-62(72)47-31-15-4-16-32-47)56(83-64(74)49-35-19-6-20-36-49)57(84-65(75)50-37-21-7-22-38-50)67(80-52)87-68(43-79-61(71)46-29-13-3-14-30-46)58(85-66(76)51-39-23-8-24-40-51)55(82-63(73)48-33-17-5-18-34-48)53(86-68)42-78-60(70)45-27-11-2-12-28-45/h1-40,52-58,67H,41-43H2
InChIKey :AKIVKIDZMLQJCH-UHFFFAOYAF
Std.InChIKey: AKIVKIDZMLQJCH-UHFFFAOYSA-N
SMILES :C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)COC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1
MDL: MFCD00047542
Molar Refractivity :308.19 ± 0.4 cm3 (est)
Parachor :2408.1 ± 6.0 cm3 (est)
Index of Refraction :1.667 ± 0.03 (est)
Surface Tension :71.8 ± 5.0 dyne/cm (est)
Density :1.42 ± 0.06 g/cm3 (est)
Polarizability :122.17 ± 0.5 10-24cm3 (est)