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Substance Name: Oxalate 1,3-dichloro-alpha-(2-(dibutylamino)ethyl)-6-(trifluoromethyl)phenanthrene-9-methanolate
RN: 94133-63-8
InChIKey: KZAOVAFVFZGQKD-UHFFFAOYSA-N

Molecular Formula

  • C26-H30-Cl2-F3-N-O.C2-H2-O4

Molecular Weight

  • 590.4628
 
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Names and Synonyms

Synonym

  • EINECS 302-725-0

Systematic Name

  • Oxalate 1,3-dichloro-alpha-(2-(dibutylamino)ethyl)-6-(trifluoromethyl)phenanthrene-9-methanolate

Registry Numbers

CAS Registry Number

  • 94133-63-8

System Generated Number

  • 0094133638

Molecular Formulas

Molecular Formula

  • C26-H30-Cl2-F3-N-O.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C26-H30-Cl2-F3-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C26H30Cl2F3NO.C2H2O4/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23;3-1(4)2(5)6/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

KZAOVAFVFZGQKD-UHFFFAOYSA-N

Smiles

c12c3c(cc(c1ccc(C(F)(F)F)c2)C(CCN(CCCC)CCCC)O)c(cc(c3)Cl)Cl.C(=O)(C(=O)O)O