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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organosulfur heterocyclic compound > benzothiophenes > 1-benzothiophenes > caldariellaquinone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organosulfur heterocyclic compound > benzothiophenes > 1-benzothiophenes > caldariellaquinone
... > 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 heterocyclic compound > organosulfur heterocyclic compound > benzothiophenes > 1-benzothiophenes > caldariellaquinone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organosulfur heterocyclic compound > benzothiophenes > 1-benzothiophenes > caldariellaquinone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzothiophenes > 1-benzothiophenes > caldariellaquinone
... > 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 heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzothiophenes > 1-benzothiophenes > caldariellaquinone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzothiophenes > 1-benzothiophenes > caldariellaquinone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organic sulfide > caldariellaquinone

Preferred term

caldariellaquinone  

Type

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

Broader concept

charge

  • 0

formula

  • C39H66O2S2

has_role

inchi

  • InChI=1S/C39H66O2S2/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-37(41)39-35(26-27-43-39)36(40)38(34)42-8/h26-33H,9-25H2,1-8H3

inchikey

  • GHRWXPXOBGRSHG-UHFFFAOYSA-N

mass

  • 631.07000

monoisotopicmass

  • 630.45042

smiles

  • CSC1=C(CCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2sccc2C1=O

subset

  • 3_STAR

synonym EXACT

  • 6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophene-4,7-dione
  • caldariellaquinone

synonym RELATED

  • 6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-methylthiobenzo[b]thiophen-4,7-quinone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:73387

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