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Chemistry, part 2

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 > pyridines > phenylpyridine > lsm-12796
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyridines > phenylpyridine > lsm-12796
... > 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 > organonitrogen heterocyclic compound > pyridines > phenylpyridine > lsm-12796
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > pyridines > phenylpyridine > lsm-12796
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyridines > phenylpyridine > lsm-12796
... > 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 heteromonocyclic compound > pyridines > phenylpyridine > lsm-12796
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > pyridines > phenylpyridine > lsm-12796

Preferred term

lsm-12796  

Type

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

Broader concept

charge

  • 0

formula

  • C31H37N3O4S

inchi

  • InChI=1S/C31H37N3O4S/c1-6-9-21-10-7-12-23(16-21)29-28-24(20-34(27(28)14-15-35)39(37)31(2,3)4)18-26(33-29)30(36)32-19-22-11-8-13-25(17-22)38-5/h6-13,16-18,27,35H,14-15,19-20H2,1-5H3,(H,32,36)/t27-,39-/m0/s1

inchikey

  • NHZALIQGAPONCQ-XGFTYPEHSA-N

mass

  • 547.710

monoisotopicmass

  • 547.25048

smiles

  • CC=CC1=CC=CC(=C1)C2=C3[C@@H](N(CC3=CC(=N2)C(=O)NCC4=CC(=CC=C4)OC)[S@@](=O)C(C)(C)C)CCO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:101433

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