IUPAC Name :5-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-4-hydroxy-6-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one
InChI :InChI=1/C27H31NO4/c1-18(2)14-21(29)15-19(3)10-11-22-25(32-4)16-23-24(26(22)30)17-28(27(23)31)13-12-20-8-6-5-7-9-20/h5-10,14,16,30H,11-13,15,17H2,1-4H3/b19-10+
Std.InChI: InChI=1S/C27H31NO4/c1-18(2)14-21(29)15-19(3)10-11-22-25(32-4)16-23-24(26(22)30)17-28(27(23)31)13-12-20-8-6-5-7-9-20/h5-10,14,16,30H,11-13,15,17H2,1-4H3/b19-10+
InChIKey :AAXHHISTDMILPL-VXLYETTFBO
Std.InChIKey: AAXHHISTDMILPL-VXLYETTFSA-N
SMILES :CC(=CC(=O)C/C(=C/CC1=C(C=C2C(=C1O)CN(C2=O)CCC3=CC=CC=C3)OC)/C)C
Molar Refractivity :126.32 ± 0.3 cm3 (est)
Parachor :983.6 ± 6.0 cm3 (est)
Index of Refraction :1.587 ± 0.02
(est)
Surface Tension :47.0 ± 3.0 dyne/cm (est)
Density :1.154 ± 0.06 g/cm3 (est)
Polarizability :50.08 ± 0.5 10-24cm3 (est)