diacetyl benzoyl lathyrol
右键点击后面的免费Jmol Molecule链接获取更多信息 Right Click Free Jmol Molecule For More Options. 戳 Click 这里 Here.
INCHI InChI :INCHI InChI=1/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26-,27-,31+/m0/s1
印地 Std.InChI: INCHI InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26-,27-,31+/m0/s1
INCHI基 InChIKey :JPYYWXPAHJBKJX-VWSFRBHVBH
标准奇奇 Std.InChIKey: JPYYWXPAHJBKJX-VWSFRBHVSA-N
微笑 SMILES :C[c @ h C@H]1C[C@]2([c @ h C@H]([c @ h C@H]1OC(= o =O)C3= c =Cc = c C= c =Cc = c C= c =C3)[c @ h C@H](C(= c =C)cc CC[c @ h C@H]4[c @ h C@H](C4(C)C)/c = c C= c =C(/C2= o =O)\C)OC(= o =O)C)OC(= o =O)C
MDL : mfcd09752801 MFCD09752801
磨牙 Molar 折射率 Refractivity :141.18 ± 0.4 cm3 (估 est)
Parachor :1148.2 ± 6.0 cm3 (估 est)
折射率 Index of Refraction :1.556 ± 0.03
(估 est)
表面张力 Surface Tension :46.8 ± 5.0 dyne/cm (估 est)
密度 Density :1.19 ± 0.1 g/cm3 (估 est)
极化率 Polarizability :55.96 ± 0.5 10-24cm3 (估 est)