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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-30705
... > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > lsm-30705
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > lsm-30705
organooxygen compound > carbonyl compound > carboxylic acid > indolyl carboxylic acid > lsm-30705
organooxygen compound > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > lsm-30705
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > lsm-30705
... > 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-30705

Preferred term

lsm-30705  

Type

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

Broader concept

charge

  • 0

formula

  • C33H39N3O5S

inchi

  • InChI=1S/C33H39N3O5S/c1-22-12-6-11-17-30(22)42(39,40)34(4)19-29-23(2)18-36(24(3)20-37)33(38)32-31(26-14-8-7-13-25(26)21-41-29)27-15-9-10-16-28(27)35(32)5/h6-17,23-24,29,37H,18-21H2,1-5H3/t23-,24+,29+/m0/s1

inchikey

  • IXIIOBNDFUZJEW-CTVOUCONSA-N

mass

  • 589.747

monoisotopicmass

  • 589.26104

smiles

  • C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C)C5=CC=CC=C5N2C)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:119256

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