RInChI=1.00.1S/C18H13NO5S2/c1-12-2-4-14(5-3-12)26(21,22)19-13-6-9-18(10-7-13)23-15-8-11-25-16(15)17(20)24-18/h2-11H,1H3/b19-13-<>C18H15NO5S2/c1-12-2-8-15(9-3-12)26(22,23)19-13-4-6-14(7-5-13)24-16-10-11-25-17(16)18(20)21/h2-11,19H,1H3,(H,20,21)/d-
RAuxInfo=1.00.1/0/N:26,23,24,21,22,8,9,11,4,5,15,25,13,18,6,10,7,1,16,12,19,20,2,3,14,17/E:(2,3)(4,5)(6,7)(9,10)(21,22)/CRV:26.6/rA:26nCOOCCCCCCCCOCSCNSCOOCCCCCC/rB:s1;s1;s1;s1;s2;s3;d4;d5;d6s7;s6;d7;s8s9;s10;d11s14;d13;s16;s17;d17;d17;s18;d18;d21;s22;s23d24;s25;/rC:2.9831,-1.7951,0;1.65,-1.0285,0;2.9831,-3.3081,0;2.9831,-.2553,0;4.3162,-2.5416,0;.3265,-1.7951,0;1.65,-4.0813,0;4.3162,.5112,0;5.6426,-1.7951,0;.3265,-3.3081,0;-1.1738,-1.3285,0;1.65,-5.6211,0;5.6426,-.2553,0;-1.1304,-3.7747,0;-2.0639,-2.5216,0;6.9691,.5112,0;8.3022,-.2553,0;9.6353,-1.0285,0;9.0754,1.1378,0;7.5357,-1.5351,0;9.6353,-2.5483,0;10.9684,-.2553,0;10.9684,-3.3215,0;12.3082,-1.0285,0;12.3082,-2.5483,0;13.6413,-3.3215,0;<>1/N:26,23,24,13,14,11,12,21,22,4,8,25,15,7,18,1,2,6,16,9,10,19,20,3,5,17/E:(2,3)(4,5)(6,7)(8,9)(20,21)(22,23)/CRV:26.6/rA:26nCCOCSCCCOOCCCCCNSCOOCCCCCC/rB:d1;s1;s1;s2;s2;s3;d4s5;s6;d6;s7;d7;d11;s12;s13d14;s15;s16;s17;d17;d17;s18;d18;d21;s22;s23d24;s25;/rC:-10.0504,-6.767,0;-9.6286,-8.2146,0;-9.1595,-5.5177,0;-11.6085,-6.767,0;-10.8357,-9.0711,0;-8.1587,-8.7063,0;-10.0326,-4.2448,0;-12.0823,-8.1749,0;-7.8513,-10.1616,0;-6.9429,-7.6753,0;-9.3653,-2.8527,0;-11.5645,-4.3558,0;-10.2081,-1.5918,0;-12.4292,-3.0869,0;-11.7574,-1.7028,0;-12.6309,-.4297,0;-11.7138,.8195,0;-10.7833,2.0559,0;-13.0173,1.7436,0;-10.5154,-.0808,0;-9.2776,1.889,0;-11.4238,3.4821,0;-8.3605,3.1398,0;-10.4892,4.7258,0;-8.9752,4.5552,0;-8.0705,5.7965,0;
Long-RInChIKey=SA-BUHFF-OCEYRUMTOAEWEA-UYRXBGFRSA-N--HRQNWWCYHJTAPI-UHFFFAOYSA-N
Short-RInChIKey=SA-BUHFF-OCEYRUMTOA-HRQNWWCYHJ-UHFFFADPSC-NDGAC-NUHFF-NUHFF-ZZZ
Web-RInChIKey=JUNXYBKHMCCVPHODJ-NIPCGXDKRQWGFSA
