RInChI=1.00.1S/C21H27NO5S/c1-13-5-7-14(8-6-13)19(25)22(12-17(23)24)16-11-15(9-10-21(2,3)4)28-18(16)20(26)27/h11,13-14H,5-8,12H2,1-4H3,(H,23,24)(H,26,27)<>C22H29NO5S/c1-14-6-8-15(9-7-14)20(26)23(13-18(24)25)17-12-16(10-11-22(2,3)4)29-19(17)21(27)28-5/h12,14-15H,6-9,13H2,1-5H3,(H,24,25)!C4H8O/c1-2-4-5-3-1/h1-4H2!CH4O/c1-2/h2H,1H3!Li.H2O/h;1H2/q+1;/p-1<>H2O/h1H2/d-

RAuxInfo=1.00.1/1/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/E:(2,3,4)(5,6)(7,8)(23,24)(26,27)/rA:28CCCCCCCCCCCCCCCCCCCCCNOOOOOS/rB:;;;;;s5;s6;;t9;;;s1s5s6;s7s8;s9d11;s11;s12;d16;s14;s18;s2s3s4s10;s12s16s19;d17;s17;d19;d20;s20;s15s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;<>1/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/E:(2,3,4)(6,7)(8,9)(24,25)/rA:29CCCCCCCCCCCCCCCCCCCCCCNOOOOOS/rB:;;;;;;s6;s7;;t10;;;s1s6s7;s8s9;s10d12;s12;s13;d17;s15;s19;s2s3s4s11;s13s17s20;d18;s18;d20;d21;s5s21;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5/E:(1,2)(3,4)/rA:5CCCCO/rB:s1;s1;s2;s3s4;/rC:;;;;;!0/N:1,2/rA:2CO/rB:s1;/rC:;;!1/N:1;2/rA:2Li+O-/rB:;/rC:;;<>0/N:1/rA:1O/rB:/rC:;

Long-RInChIKey=SA-BUHFF-BGUOIGIGNVGJFO-UHFFFAOYSA-N--AKOAKQLIUUGEIL-UHFFFAOYSA-N-WYURNTSHIVDZCO-UHFFFAOYSA-N-OKKJLVBELUTLKV-UHFFFAOYSA-N-WMFOQBRAJBCJND-UHFFFAOYSA-M--XLYOFNOQVPJJNP-UHFFFAOYSA-N

Short-RInChIKey=SA-BUHFF-BGUOIGIGNV-GOTWXESJKH-XLYOFNOQVP-NUHFF-MUHFF-NUHFF-ZZZ

Web-RInChIKey=KPHMCSBLGRSVHMXIQ-MUHFFFADPSCTJSA