38 38 0 0001 0 0 0 0 0999 V2000 9.3014 -4.4154 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 9.3014 -8.7022 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 2.6181 -5.6527 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0.8042 -6.2750 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 10.8833 -4.4958 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 11.1042 -8.6792 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 7.6514 -4.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 10.1409 -4.4006 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 8.7181 -3.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 9.4515 -3.6529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 10.3256 -8.5551 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 8.5870 -9.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 9.5159 -9.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.8055 -6.1793 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 2.7514 -4.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.9389 -4.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.8264 -5.8443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 6.0014 -5.8443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 8.0639 -6.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.6514 -5.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.8889 -6.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.8889 -5.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0639 -5.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.3014 -5.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.8889 -7.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9389 -6.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.7639 -6.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.3014 -7.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.5264 -5.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.1764 -5.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.6514 -7.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0639 -7.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9389 -5.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.7639 -5.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.5264 -7.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.1764 -7.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9389 -7.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.7639 -7.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 1 9 2 0 1 10 2 0 1 22 1 0 2 11 1 0 2 12 2 0 2 13 2 0 2 25 1 0 3 14 1 0 3 15 2 0 3 16 2 0 3 29 1 0 7 23 1 0 17 18 2 3 17 20 1 0 18 30 1 0 19 20 1 0 19 21 1 0 19 31 2 0 20 23 2 0 21 24 1 0 21 28 2 0 22 23 1 0 22 24 2 0 25 28 1 0 25 32 2 0 26 27 1 0 26 29 1 0 26 35 2 0 27 30 1 0 27 36 2 0 29 33 2 0 30 34 2 0 31 32 1 0 33 34 1 0 35 37 1 0 36 38 1 0 37 38 2 0 M CHG 6 4 1 5 1 6 1 8 -1 11 -1 14 -1 M END > InChI=1S/C20H14N2O10S3.3Na/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3 > WLDHEUZGFKACJH-UHFFFAOYSA-K > 1/1/N:38,37,36,35,32,31,34,33,28,24,21,25,19,27,26,30,29,22,20,23,18,17,7,11,12,13,14,15,16,8,9,10,2,3,1;4;5;6/E:(24,25,26)(27,28,29)(30,31,32);;;/CRV:33.6,34.6,35.6;;;/rA:38nSSSNa+Na+Na+OO-OOO-OOO-OONNCCCCCCCCCCCCCCCCCCCC/rB:;;;;;;s1;d1;d1;s2;d2;d2;s3;d3;d3;;w17;;s17s19;s19;s1;s7d20s22;s21d22;s2;;s26;d21s25;s3s26;s18s27;d19;d25s31;d29;d30s33;d26;d27;s35;s36d37;/rC:9.3014,-4.4154,0;9.3014,-8.7022,0;2.6181,-5.6527,0;.8042,-6.275,0;10.8833,-4.4958,0;11.1042,-8.6792,0;7.6514,-4.4154,0;10.1409,-4.4006,0;8.7181,-3.832,0;9.4515,-3.6529,0;10.3256,-8.5551,0;8.587,-9.1147,0;9.5159,-9.1814,0;1.8055,-6.1793,0;2.7514,-4.6818,0;1.9389,-4.836,0;6.8264,-5.8443,0;6.0014,-5.8443,0;8.0639,-6.5588,0;7.6514,-5.8443,0;8.8889,-6.5588,0;8.8889,-5.1298,0;8.0639,-5.1298,0;9.3014,-5.8443,0;8.8889,-7.9877,0;3.9389,-6.5588,0;4.7639,-6.5588,0;9.3014,-7.2733,0;3.5264,-5.8443,0;5.1764,-5.8443,0;7.6514,-7.2733,0;8.0639,-7.9877,0;3.9389,-5.1298,0;4.7639,-5.1298,0;3.5264,-7.2733,0;5.1764,-7.2733,0;3.9389,-7.9877,0;4.7639,-7.9877,0; > C20 H11 N2 Na3 O10 S3 > 604.4731 > S(C1=CC2=CC(=CC=C2C(=C1O)N=NC1=CC=C(C2=CC=CC=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])(=O)(=O)[O-].[Na+].[Na+].[Na+] > 21169821 $$$$