tannic acid
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INCHI InChI :INCHI InChI=1/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1
印地 Std.InChI: INCHI InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1
INCHI基 InChIKey :LRBQNJMCXXYXIU-PPKXGCFTBB
标准奇奇 Std.InChIKey: LRBQNJMCXXYXIU-PPKXGCFTSA-N
微笑 SMILES :C1= c =C(c = c C= c =C(C(= c =C1O)O)O)C(= o =O)OC2= cc = c =CC(= cc = c =CC(= c =C2O)O)C(= o =O)OC[C@@H]3[c @ h C@H]([C@@H]([c @ h C@H]([C@@H](O3)OC(= o =O)C4= cc = c =CC(= c =C(C(= c =C4)OC(= o =O)C5= cc = c =CC(= c =C(C(= c =C5)O)O)O)O)O)OC(= o =O)C6= cc = c =CC(= c =C(C(= c =C6)OC(= o =O)C7= cc = c =CC(= c =C(C(= c =C7)O)O)O)O)O)OC(= o =O)C8= cc = c =CC(= c =C(C(= c =C8)OC(= o =O)C9= cc = c =CC(= c =C(C(= c =C9)O)O)O)O)O)OC(= o =O)C1= cc = c =CC(= c =C(C(= c =C1)OC(= o =O)C1= cc = c =CC(= c =C(C(= c =C1)O)O)O)O)O
MDL : mfcd00066397 MFCD00066397
磨牙 Molar 折射率 Refractivity :379.60 ± 0.4 cm3 (估 est)
Parachor :3016.6 ± 6.0 cm3 (估 est)
折射率 Index of Refraction :1.927 ± 0.03 (估 est)
表面张力 Surface Tension :203.1 ± 5.0 dyne/cm (估 est)
密度 Density :2.12 ± 0.1 g/cm3 (估 est)
极化率 Polarizability :150.48 ± 0.5 10-24cm3 (估 est)