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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-9530
... > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > lsm-9530
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > lsm-9530
organooxygen compound > carbonyl compound > carboxylic acid > indolyl carboxylic acid > lsm-9530
organooxygen compound > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > lsm-9530
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > lsm-9530
... > 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-9530

Preferred term

lsm-9530  

Type

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

Broader concept

charge

  • 0

formula

  • C32H36FN3O5S

inchi

  • InChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(27-14-7-8-15-28(27)35(31)4)26-13-6-5-10-23(26)20-41-29(21)18-34(3)42(39,40)25-12-9-11-24(33)16-25/h5-16,21-22,29,37H,17-20H2,1-4H3/t21-,22-,29+/m1/s1

inchikey

  • QBEIQJOXWRLXRW-QLVXXPONSA-N

mass

  • 593.711

monoisotopicmass

  • 593.23597

smiles

  • C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)F)C5=CC=CC=C5N2C)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:98151

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