RInChI=1.00.1S/C19H31BO5/c1-18(2)19(3,4)25-20(24-18)17-10-8-16(9-11-17)7-6-12-22-15-23-14-13-21-5/h8-11H,6-7,12-15H2,1-5H3!C33H25F3O5S/c34-33(35,36)42(37,38)41-32-20-28(26-11-15-30(16-12-26)39-22-24-7-3-1-4-8-24)19-29(21-32)27-13-17-31(18-14-27)40-23-25-9-5-2-6-10-25/h1-21H,22-23H2!H4N2.H2O/c1-2;/h1-2H2;1H2<>C45H44O5/c1-46-27-28-48-34-47-26-8-13-35-14-16-38(17-15-35)41-29-42(39-18-22-44(23-19-39)49-32-36-9-4-2-5-10-36)31-43(30-41)40-20-24-45(25-21-40)50-33-37-11-6-3-7-12-37/h2-7,9-12,14-25,29-31H,8,13,26-28,32-34H2,1H3<>C4H8O/c1-2-4-5-3-1/h1-4H2!H2O/h1H2/d+
RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25/E:(1,2,3,4)(8,9)(10,11)(18,19)(24,25)/rA:25CCCCCCCCCCCCCCCCCCCBOOOOO/rB:;;;;;s6;;;s8;d9;s6;;s13;;s7d8s9;d10s11;s1s2;s3s4s18;s17;s5s13;s12s15;s14s15;s18s20;s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12,13,14)(15,16,17,18)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(34,35,36)(37,38)(39,40)/CRV:42.6/rA:42CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCFFFOOOOOS/rB:;d1;s1;d2;s2;s3;d4;s5;d6;;;;;s11;d12;s13;d14;;;;;;d7s8s22;d9s10s23;d11s12;d13s14;d19s20s26;s19d21s27;d15s16;d17s18;d20s21;;s33;s33;s33;;;s22s30;s23s31;s32;s33d37d38s41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2;3/E:(1,2);/rA:3NNO/rB:s1;;/rC:;;;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50/E:(2,3)(4,5,6,7)(9,10,11,12)(14,15)(16,17)(18,19,20,21)(22,23,24,25)(29,30)(32,33)(36,37)(39,40)(42,43)(44,45)(49,50)/rA:50CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOOOOO/rB:;;d2;s2;d3;s3;;s4;d5;s6;d7;s8;;;s14;d15;;;;;s18;d19;s20;d21;s8;;s27;;;;;;;s13d14s15;d9s10s32;d11s12s33;d16s17;d18s19;d20s21;d29s30s38;s29d31s39;d30s31s40;d22s23;d24s25;s1s27;s26s34;s28s34;s32s44;s33s45;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5/E:(1,2)(3,4)/rA:5CCCCO/rB:s1;s1;s2;s3s4;/rC:;;;;;!0/N:1/rA:1O/rB:/rC:;
Long-RInChIKey=SA-FUHFF-GZWODRUJHVDQOM-UHFFFAOYSA-N-JAOMDCAJZUKHGE-UHFFFAOYSA-N-IKDUDTNKRLTJSI-UHFFFAOYSA-N--JWQRZQQBISTPAH-UHFFFAOYSA-N--WYURNTSHIVDZCO-UHFFFAOYSA-N-XLYOFNOQVPJJNP-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-CMOCJLJJNV-JWQRZQQBIS-VUAZZERDFI-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=NTKPTQCKKVRDRHMTF-NUHFFFADPSCTJSA