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Concept information

Preferred term

(9R, 22R) بیسفنول A bis (9, 22 هیدروکسی 10, 23 آنترانیلیس پروپیل)  

Type

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

Broader concept

charge

  • 0

formula

  • C35H38N2O8

inchi

  • InChI=1S/C35H38N2O8/c1-35(2,23-11-15-27(16-12-23)44-21-25(38)19-36-31-9-5-3-7-29(31)33(40)41)24-13-17-28(18-14-24)45-22-26(39)20-37-32-10-6-4-8-30(32)34(42)43/h3-18,25-26,36-39H,19-22H2,1-2H3,(H,40,41)(H,42,43)/t25-,26-/m1/s1

inchikey

  • AEUPYRGOAQXDAN-CLJLJLNGSA-N

mass

  • 614.695

monoisotopicmass

  • 614.26282

smiles

  • O=C(O)C1=C(NC[C@@H](O)COC2=CC=C(C(C3=CC=C(OC[C@H](O)CNC4=C(C(=O)O)C=CC=C4)C=C3)(C)C)C=C2)C=CC=C1

subset

  • 2_STAR

synonym EXACT

  • 2-[[(2R)-3-[4-[2-[4-[(2R)-3-(2-carboxyanilino)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]amino]benzoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214994

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