IUPAC Name :icosan-9-yl (Z)-docos-13-enoate
InChI :InChI=1/C42H82O2/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-26-27-29-31-34-37-40-42(43)44-41(38-35-32-15-12-9-6-3)39-36-33-30-28-17-14-11-8-5-2/h20-21,41H,4-19,22-40H2,1-3H3/b21-20-
Std.InChI: InChI=1S/C42H82O2/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-26-27-29-31-34-37-40-42(43)44-41(38-35-32-15-12-9-6-3)39-36-33-30-28-17-14-11-8-5-2/h20-21,41H,4-19,22-40H2,1-3H3/b21-20-
InChIKey :VJVOFLWZDWLHNR-MRCUWXFGBQ
Std.InChIKey: VJVOFLWZDWLHNR-MRCUWXFGSA-N
SMILES :CCCCCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
Molar Refractivity :198.42 ± 0.3 cm3 (est)
Parachor :1712.4 ± 4.0 cm3 (est)
Index of Refraction :1.463 ± 0.02
(est)
Surface Tension :32.1 ± 3.0 dyne/cm (est)
Density :0.860 ± 0.06 g/cm3 (est)
Polarizability :78.66 ± 0.5 10-24cm3 (est)