IUPAC Name :(E)-3-[(2S,3S)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
InChI :InChI=1/C18H16O6/c19-7-1-2-11-3-6-15-16(8-11)23-17(10-20)18(24-15)12-4-5-13(21)14(22)9-12/h1-9,17-18,20-22H,10H2/b2-1+/t17-,18-/m0/s1
Std.InChI: InChI=1S/C18H16O6/c19-7-1-2-11-3-6-15-16(8-11)23-17(10-20)18(24-15)12-4-5-13(21)14(22)9-12/h1-9,17-18,20-22H,10H2/b2-1+/t17-,18-/m0/s1
InChIKey :NTXXGPYGMQQSML-QLJMBOKNBO
Std.InChIKey: NTXXGPYGMQQSML-QLJMBOKNSA-N
SMILES :C1=CC2=C(C=C1/C=C/C=O)O[C@H]([C@@H](O2)C3=CC(=C(C=C3)O)O)CO
Molar Refractivity :87.53 ± 0.3 cm3 (est)
Parachor :678.9 ± 4.0 cm3 (est)
Index of Refraction :1.663 ± 0.02
(est)
Surface Tension :68.2 ± 3.0 dyne/cm (est)
Density :1.389 ± 0.06 g/cm3 (est)
Polarizability :34.70 ± 0.5 10-24cm3 (est)