but-2-enedioic acid; (Z)-4,4-dihydroxybut-2-enoic acid; [5-(4-methylpiperazin-1-yl)-5,6,6a,10a-tetrahydrobenzo[b][1]benzothiepin-3-yl]methanol

More details:

• Systematic name

  but-2-enedioic acid; (Z)-4,4-dihydroxybut-2-enoic acid; [5-(4-methylpiperazin-1-yl)-5,6,6a,10a-tetrahydrobenzo[b][1]benzothiepin-3-yl]methanol

• SMILES

  CN1CCN(CC1)C2CC3C=CC=CC3Sc4c2cc(cc4)CO.C(=C\C(=O)O)\C(O)O.C(=C\C(=O)O)\C(=O)O

• Std. InChi

  InChI=1S/C20H26N2OS.C4H6O4.C4H4O4/c1-21-8-10-22(11-9-21)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-23)12-17(18)20;2*5-3(6)1-2-4(7)8/h2-7,12,16,18-19,23H,8-11,13-14H2,1H3;1-3,5-6H,(H,7,8);1-2H,(H,5,6)(H,7,8)/b;2*2-1-

• Std. InChIKey

  QCYKTDGXGSHTMU-SPIKMXEPSA-N

• Cite this record

  CSID:4939414, http://www.chemspider.com/Chemical-Structure.4939414.html (accessed 21:28, Jul 1, 2024)