RInChI=1.00.1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3!C5H6N2O/c1-7-4-6-2-5(7)3-8/h2-4H,1H3<>C9H15N3OS/c1-9(2,3)14(13)11-6-8-5-10-7-12(8)4/h5-7H,1-4H3<>4C2H5O.Ti/c4*1-2-3;/h4*2H2,1H3;/q4*-1;+4!C4H8O/c1-2-4-5-3-1/h1-4H2/d+
RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7/E:(1,2,3)/rA:7CCCCNOS/rB:;;s1s2s3;;;s4s5d6;/rC:;;;;;;;!0/N:1,2,3,4,5,6,7,8/rA:8CCCCCNNO/rB:;;;d2s3;s2d4;s1s4s5;d3;/rC:;;;;;;;;<>0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14/E:(1,2,3)/rA:14CCCCCCCCCNNNOS/rB:;;;;;;d5s6;s1s2s3;s5d7;d6;s4s7s8;;s9s11d13;/rC:;;;;;;;;;;;;;;<>0/N:1,2,3;4,5,6;7,8,9;10,11,12;13/CRV:4*3-1;/rA:13CCO-CCO-CCO-CCO-Ti+4/rB:s1;s2;;s4;s5;;s7;s8;;s10;s11;;/rC:;;;;;;;;;;;;;!0/N:1,2,3,4,5/E:(1,2)(3,4)/rA:5CCCCO/rB:s1;s1;s2;s3s4;/rC:;;;;;
Long-RInChIKey=SA-FUHFF-CESUXLKAADQNTB-UHFFFAOYSA-N-BNYKZFOZWZMEJD-UHFFFAOYSA-N--PWUMQXWVTUYOSB-UHFFFAOYSA-N--JMXKSZRRTHPKDL-UHFFFAOYSA-N-WYURNTSHIVDZCO-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-GDJMOCFYGU-PWUMQXWVTU-OHVSVLLNTC-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=VWDCPVMHMKFMNJXED-NUHFFFADPSCTJSA