38 39 0 0 0 0 0 0 0 0999 V2000 9.3100 -18.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3100 -20.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5224 -21.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7349 -20.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7349 -18.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5224 -18.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9724 -18.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1849 -18.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1849 -20.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3973 -21.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6097 -20.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6097 -18.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3973 -18.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0976 -21.0700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9021 -20.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0975 -22.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7147 -21.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9019 -23.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8074 -21.0614 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0198 -21.7614 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.0971 -22.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4965 -19.8673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9785 -16.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1724 -16.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1083 -14.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9688 -14.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7748 -14.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7690 -16.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3973 -17.1500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.3973 -15.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.2773 -17.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7973 -17.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9688 -12.6826 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.1724 -11.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7368 -11.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5425 -12.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3530 -12.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7200 -22.1900 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 1 6 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 8 13 1 0 0 0 2 14 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 11 19 1 0 0 0 19 20 1 0 0 0 19 21 2 0 0 0 19 22 2 0 0 0 7 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 23 28 1 0 0 0 13 29 1 0 0 0 29 30 1 0 0 0 29 31 2 0 0 0 29 32 2 0 0 0 26 33 2 0 0 0 33 34 1 0 0 0 33 35 1 0 0 0 35 36 1 0 0 0 34 37 1 0 0 0 M CHG 4 20 -1 30 -1 33 1 38 1 M END > CHEBI:34906 > Patent blue > 2 > Patent blue > C27H31N2O6S2.Na > 566.668 > 566.15212 > 0 > [Na+].CCN(CC)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)CC)c1ccc(cc1S([O-])(=O)=O)S([O-])(=O)=O > InChI=1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1 > SJEYSFABYSGQBG-UHFFFAOYSA-M > 129-17-9 > C13725 $$$$