6635 -OEChem-10051720473D 26 27 0 0 0 0 0 0 0999 V2000 -6.2494 0.5882 0.9470 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4284 0.1683 0.2763 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3563 -0.5194 -0.8388 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 0.1970 0.3186 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1886 -1.9576 -0.7572 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1571 0.2034 -2.0812 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0213 -0.2074 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6582 0.9389 -0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6582 -1.1144 0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9179 0.1904 0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9719 1.1859 -0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 -0.8675 0.8921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6097 -1.0203 0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 1.3944 0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6290 0.2826 0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0045 -1.0272 0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0159 1.3877 0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7076 0.1769 0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 1.6587 -1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -2.0105 0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4707 2.0874 -0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4708 -1.5788 1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0842 -1.9683 0.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 2.3404 0.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5304 -1.9780 0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 2.3336 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 10 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 19 1 0 0 0 0 9 12 2 0 0 0 0 9 20 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 17 2 0 0 0 0 14 24 1 0 0 0 0 16 18 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 M END > DB05377 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RZXLPPRPEOUENN-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC=C(OS(=O)(=O)C2=CC=C(Cl)C=C2)C=C1 > InChI=1S/C12H8Cl2O3S/c13-9-1-5-11(6-2-9)17-18(15,16)12-7-3-10(14)4-8-12/h1-8H > RZXLPPRPEOUENN-UHFFFAOYSA-N > C12H8Cl2O3S > 303.161 > 301.957120226 > 2 > 26 > 0.0 > 28.269720408429606 > 1 > 0 > 0 > 1 > 4-chlorophenyl 4-chlorobenzene-1-sulfonate > 3.50 > 4.398161056666666 > -4.58 > 0 > 0 > 2 > 0 > 43.370000000000005 > 70.55000000000001 > 3 > 1 > 7.90e-03 g/l > tetrahydrofolic acid > 0 $$$$