isostearyl erucate
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iupac名称 IUPAC Name :16-甲基十七烷基（z）-docos-13-烯酸酯 16-methylheptadecyl (Z)-docos-13-enoate
INCHI InChI :INCHI InChI=1/C40H78O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-31-34-37-40(41)42-38-35-32-29-26-23-20-17-18-21-24-27-30-33-36-39(2)3/h11-12,39H,4-10,13-38H2,1-3H3/b12-11-
印地 Std.InChI: INCHI InChI=1S/C40H78O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-31-34-37-40(41)42-38-35-32-29-26-23-20-17-18-21-24-27-30-33-36-39(2)3/h11-12,39H,4-10,13-38H2,1-3H3/b12-11-
INCHI基 InChIKey :BDYMKXOJTJMBDU-QXMHVHEDBJ
标准奇奇 Std.InChIKey: BDYMKXOJTJMBDU-QXMHVHEDSA-N
微笑 SMILES :cc CC(C)ccccccccccc cccccccc cc CCcc CCcc CCcc CCcc CCcc CCcc CCCOC(= o =O)ccccccccccc cccccccc cc CCcc CCcc CCcc CCcc CCC/c = c C=C\cccccccc cc CCcc CCcc CCcc CC
磨牙 Molar 折射率 Refractivity :189.15 ± 0.3 cm3 (估 est)
Parachor :1632.8 ± 4.0 cm3 (估 est)
折射率 Index of Refraction :1.463 ± 0.02
(估 est)
表面张力 Surface Tension :32.0 ± 3.0 dyne/cm (估 est)
密度 Density :0.861 ± 0.06 g/cm3 (估 est)
极化率 Polarizability :74.98 ± 0.5 10-24cm3 (估 est)