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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organochlorine compound > bisphenol a (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether
organooxygen compound > ether > polyether > diether > bisphenol a (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether

Preferred term

bisphenol a (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether  

Type

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

Broader concept

charge

  • 0

formula

  • C21H27ClO5

has_functional_parent

has_role

inchi

  • InChI=1S/C21H27ClO5/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,23-25H,11-14H2,1-2H3

inchikey

  • HDTYUHNZRYZEEB-UHFFFAOYSA-N

mass

  • 394.88900

monoisotopicmass

  • 394.15470

smiles

  • CC(C)(c1ccc(OCC(O)CO)cc1)c1ccc(OCC(O)CCl)cc1

subset

  • 3_STAR

synonym EXACT

  • 3-(4-{2-[4-(3-chloro-2-hydroxypropoxy)phenyl]propan-2-yl}phenoxy)propane-1,2-diol

synonym RELATED

  • EPI-001

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:59642

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