IUPAC Name :5-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-6-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one
InChI :InChI=1/C27H33NO3/c1-19(2)9-8-10-20(3)13-14-22-25(31-4)17-23-24(26(22)29)18-28(27(23)30)16-15-21-11-6-5-7-12-21/h5-7,9,11-13,17,29H,8,10,14-16,18H2,1-4H3/b20-13+
Std.InChI: InChI=1S/C27H33NO3/c1-19(2)9-8-10-20(3)13-14-22-25(31-4)17-23-24(26(22)29)18-28(27(23)30)16-15-21-11-6-5-7-12-21/h5-7,9,11-13,17,29H,8,10,14-16,18H2,1-4H3/b20-13+
InChIKey :AYUFSIRZXDWSDR-DEDYPNTBBX
Std.InChIKey: AYUFSIRZXDWSDR-DEDYPNTBSA-N
SMILES :CC(=CCC/C(=C/CC1=C(C=C2C(=C1O)CN(C2=O)CCC3=CC=CC=C3)OC)/C)C
Molar Refractivity :126.29 ± 0.3 cm3 (est)
Parachor :978.4 ± 6.0 cm3 (est)
Index of Refraction :1.581 ± 0.02
(est)
Surface Tension :44.6 ± 3.0 dyne/cm (est)
Density :1.108 ± 0.06 g/cm3 (est)
Polarizability :50.06 ± 0.5 10-24cm3 (est)