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Concept information

Preferred term

هکتوکلرین D  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C28H36Cl2N2O9S2

inchi

  • InChI=1S/C28H36Cl2N2O9S2/c1-14(33)38-19-21-31-15(12-43-21)22(34)39-17(10-9-11-28(8,29)30)25(2,3)24(36)40-18(26(4,5)37)20-32-16(13-42-20)23(35)41-27(19,6)7/h12-13,17-19,37H,9-11H2,1-8H3

inchikey

  • YLZCHGRTZRQGND-UHFFFAOYSA-N

mass

  • 679.620

monoisotopicmass

  • 678.12393

smiles

  • ClC(Cl)(CCCC1OC(=O)C=2N=C(C(OC(=O)C)C(OC(C=3N=C(C(OC(C1(C)C)=O)C(O)(C)C)SC3)=O)(C)C)SC2)C

subset

  • 2_STAR

synonym EXACT

  • [12-(4,4-dichloropentyl)-16-(2-hydroxypropan-2-yl)-4,4,13,13-tetramethyl-2,10,14-trioxo-3,11,15-trioxa-7,18-dithia-20,21-diazatricyclo[15.2.1.16,9]henicosa-1(19),6(21),8,17(20)-tetraen-5-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227695

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