pentaerythrityl tetraabietate
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/C85H124O8/c1-53(2)57-21-29-65-61(45-57)25-33-69-77(65,9)37-17-41-81(69,13)73(86)90-49-85(50-91-74(87)82(14)42-18-38-78(10)66-30-22-58(54(3)4)46-62(66)26-34-70(78)82,51-92-75(88)83(15)43-19-39-79(11)67-31-23-59(55(5)6)47-63(67)27-35-71(79)83)52-93-76(89)84(16)44-20-40-80(12)68-32-24-60(56(7)8)48-64(68)28-36-72(80)84/h25-28,45-48,53-56,65-72H,17-24,29-44,49-52H2,1-16H3/t65-,66-,67-,68-,69+,70+,71+,72+,77+,78+,79+,80+,81+,82+,83+,84+/m0/s1
印地 Std.InChI: INCHI InChI=1S/C85H124O8/c1-53(2)57-21-29-65-61(45-57)25-33-69-77(65,9)37-17-41-81(69,13)73(86)90-49-85(50-91-74(87)82(14)42-18-38-78(10)66-30-22-58(54(3)4)46-62(66)26-34-70(78)82,51-92-75(88)83(15)43-19-39-79(11)67-31-23-59(55(5)6)47-63(67)27-35-71(79)83)52-93-76(89)84(16)44-20-40-80(12)68-32-24-60(56(7)8)48-64(68)28-36-72(80)84/h25-28,45-48,53-56,65-72H,17-24,29-44,49-52H2,1-16H3/t65-,66-,67-,68-,69+,70+,71+,72+,77+,78+,79+,80+,81+,82+,83+,84+/m0/s1
INCHI基 InChIKey :BQSWWPVLPPRSPJ-FIKIKMCABA
标准奇奇 Std.InChIKey: BQSWWPVLPPRSPJ-FIKIKMCASA-N
微笑 SMILES :cc CC(C)C1=cc CC2=cc CC[C@@H]3[C@@]([c @ h C@H]2cc CC1)(抄送 cc CCC[C@@]3(C)C(= o =O)occ Occ CC(coc COC(= o =O)[C@@]4(抄送 cc CCC[C@]5([c @ h C@H]4cc CC=C6[C@@H]5抄送 cc CCC(=C6)C(C)C)C)C)(coc COC(= o =O)[C@@]7(抄送 cc CCC[C@]8([c @ h C@H]7cc CC=C9[C@@H]8抄送 cc CCC(=C9)C(C)C)C)C)coc COC(= o =O)[C@@]1(抄送 cc CCC[C@]2([c @ h C@H]1cc CC=C1[C@@H]2抄送 cc CCC(=C1)C(C)C)C)C)C
磨牙 Molar 折射率 Refractivity :375.84 ± 0.4 cm3 (估 est)
Parachor :2997.1 ± 6.0 cm3 (估 est)
折射率 Index of Refraction :1.573 ± 0.03
(估 est)
表面张力 Surface Tension :47.9 ± 5.0 dyne/cm (估 est)
密度 Density :1.11 ± 0.1 g/cm3 (估 est)
极化率 Polarizability :148.99 ± 0.5 10-24cm3 (估 est)