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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > rp-1551-3
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > rp-1551-3
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > rp-1551-3

Preferred term

rp-1551-3  

Type

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

Broader concept

charge

  • 0

formula

  • C25H27ClO5

inchi

  • InChI=1S/C25H27ClO5/c1-6-8-19(27)20-21-18-13-30-16(10-9-15(4)11-14(3)7-2)12-17(18)22(26)23(28)25(21,5)31-24(20)29/h6,8-14,20-21H,7H2,1-5H3/b8-6+,10-9+,15-11+/t14?,20-,21-,25+/m1/s1

inchikey

  • CSVQAYRULZSEOH-DPTBCMQJSA-N

mass

  • 442.940

monoisotopicmass

  • 442.15470

smiles

  • ClC1=C2C(=COC(=C2)/C=C/C(=C/C(CC)C)/C)[C@@H]3[C@@H](C(=O)/C=C/C)C(O[C@@]3(C1=O)C)=O

subset

  • 2_STAR

synonym EXACT

  • (6aS,9S,9aS)-9-[(E)-but-2-enoyl]-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220934

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