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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > aromatic compound > lsm-36379

Preferred term

lsm-36379  

Type

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

Broader concept

charge

  • -1

formula

  • C35H35ClNO3S

inchi

  • InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/p-1/t32-/m1/s1

inchikey

  • UCHDWCPVSPXUMX-JGCGQSQUSA-M

mass

  • 585.178

monoisotopicmass

  • 584.20317

smiles

  • CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:124928

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