RInChI=1.00.1S/C29H25N5O7S2/c35-28(40-18-19-7-3-1-4-8-19)23(33-43(37,38)34-13-14-39-29(34)36)16-25-31-32-26(41-25)17-27-30-22-12-11-21(15-24(22)42-27)20-9-5-2-6-10-20/h1-12,15,23,33H,13-14,16-18H2!C3H7N/c4-3-1-2-3/h3H,1-2,4H2<>C29H27N5O5S2/c35-29(38-18-19-7-3-1-4-8-19)24(34-41(36,37)33-22-12-13-22)16-26-31-32-27(39-26)17-28-30-23-14-11-21(15-25(23)40-28)20-9-5-2-6-10-20/h1-11,14-15,22,24,33-34H,12-13,16-18H2/d+
RAuxInfo=1.00.1/0/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43/E:(3,4)(5,6)(7,8)(9,10)(37,38)/CRV:43.6/rA:43CCCCCCCCCCCCCCCCCCCCCCCCCCCCCNNNNNOOOOOOOSS/rB:;d1;s1;d2;s2;s3;d4;s5;d6;;d11;;s13;;;;;d7s8s18;d9s10;s11d15s20;s12;s16;s15d22;s16;s17;s17;s23;;s22d27;d25;d26s31;s23;s13s29;d28;d29;;;s14s29;s18s28;s25s26;s24s27;s33s34d37d38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4/E:(1,2)/rA:4CCCN/rB:s1;s1s2;s3;/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/E:(3,4)(5,6)(7,8)(9,10)(12,13)(36,37)/CRV:41.6/rA:41CCCCCCCCCCCCCCCCCCCCCCCCCCCCCNNNNNOOOOOSS/rB:;d1;s1;d2;s2;s3;d4;s5;d6;;;s12;d11;;;;;d7s8s18;d9s10;s11d15s20;s12s13;s14;s16;s15d23;s16;s17;s17;s24;s23d28;d26;d27s31;s22;s24;d29;;;s18s29;s26s27;s25s28;s33s34d36d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Long-RInChIKey=SA-FUHFF-ZOKCKCRCFZWODZ-UHFFFAOYSA-N-HTJDQJBWANPRPF-UHFFFAOYSA-N--PKQRNCJHLZJDAO-UHFFFAOYSA-N
Short-RInChIKey=SA-FUHFF-AEPYMCNBEX-PKQRNCJHLZ-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ
Web-RInChIKey=PXICXTLMLRNCPOKSF-NUHFFFADPSCTJSA