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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 > organobromine compound > crobetabyanol d
organooxygen compound > ether > aromatic ether > crobetabyanol d
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > crobetabyanol d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > crobetabyanol d
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > crobetabyanol d

Preferred term

crobetabyanol d  

Type

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

Broader concept

charge

  • 0

formula

  • C30H15Br7O9S

inchi

  • InChI=1S/C30H15Br7O9S/c31-14-1-5-23(18(33)9-14)43-27-13-17(42-16-3-7-25(20(35)11-16)46-47(39,40)41)12-21(36)29(27)45-26-8-4-22(38)30(28(26)37)44-24-6-2-15(32)10-19(24)34/h1-13,38H,(H,39,40,41)

inchikey

  • FNJCBTVNRSOXTH-UHFFFAOYSA-N

mass

  • 1110.830

monoisotopicmass

  • 1103.47204

smiles

  • BrC1=C(OC2=C(Br)C=C(Br)C=C2)C(O)=CC=C1OC3=C(Br)C=C(OC4=CC(Br)=C(OS(=O)(=O)O)C=C4)C=C3OC5=C(Br)C=C(Br)C=C5

subset

  • 2_STAR

synonym EXACT

  • [2-bromo-4-[3-bromo-4-[2-bromo-3-(2,4-dibromophenoxy)-4-hydroxyphenoxy]-5-(2,4-dibromophenoxy)phenoxy]phenyl] hydrogen sulate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216142

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