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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > lsm-11490
... > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > lsm-11490
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > lsm-11490
organooxygen compound > carbonyl compound > carboxylic acid > indolyl carboxylic acid > lsm-11490
organooxygen compound > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > lsm-11490
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > lsm-11490
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > lsm-11490

Preferred term

lsm-11490  

Type

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

Broader concept

charge

  • 0

formula

  • C28H34F3N3O5S

inchi

  • InChI=1S/C28H34F3N3O5S/c1-18-13-34(19(2)15-35)27(36)26-25(22-11-7-8-12-23(22)33(26)4)21-10-6-5-9-20(21)16-39-24(18)14-32(3)40(37,38)17-28(29,30)31/h5-12,18-19,24,35H,13-17H2,1-4H3/t18-,19-,24-/m0/s1

inchikey

  • BZAPUCLBFKATKI-JXQFQVJHSA-N

mass

  • 581.649

monoisotopicmass

  • 581.21713

smiles

  • C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)CC(F)(F)F)C4=CC=CC=C4N2C)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:100111

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