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Chemistry, part 1

Content language

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Concept information

... > organic heterocyclic compound > organic heteropolycyclic compound > dibenzopyran > xanthenes > xanthene dye > qsy21 succinimidyl ester(1+)
... > chemical entity > molecular entity > ion > cation > organic cation > iminium ion > qsy21 succinimidyl ester(1+)
... > chemical entity > molecular entity > ion > organic ion > organic cation > iminium ion > qsy21 succinimidyl ester(1+)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > iminium ion > qsy21 succinimidyl ester(1+)

Preferred term

qsy21 succinimidyl ester(1+)  

Type

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

Broader concept

charge

  • +1

formula

  • C45H39N4O7S

has_role

inchi

  • InChI=1S/C45H39N4O7S/c50-42-17-18-43(51)49(42)56-45(52)29-19-21-48(22-20-29)57(53,54)41-12-6-5-11-38(41)44-36-15-13-34(46-25-30-7-1-2-8-31(30)26-46)23-39(36)55-40-24-35(14-16-37(40)44)47-27-32-9-3-4-10-33(32)28-47/h1-16,23-24,29H,17-22,25-28H2/q+1

inchikey

  • LCFGPDFLDYPBCY-UHFFFAOYSA-N

mass

  • 779.87900

monoisotopicmass

  • 779.25340

smiles

  • O=C1CCC(=O)N1OC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1C1=c2ccc(cc2Oc2cc(ccc12)N1Cc2ccccc2C1)=[N+]1Cc2ccccc2C1

subset

  • 3_STAR

synonym EXACT

  • 2-[6-(1,3-dihydro-2H-isoindol-2-yl)-9-{2-[(4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}piperidin-1-yl)sulfonyl]phenyl}-3H-xanthen-3-ylidene]-2,3-dihydro-1H-isoindolium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:52889

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