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Substance Name: 5-((Difluoromethyl)sulphonyl)-2-(2-(1-(3-methoxy-3-oxopropyl)-2-phenyl-1H-indol-3-yl)vinyl)-1,3,3-trimethyl-3H-indolium iodide
RN: 85050-04-0
InChIKey: RKBKNSWWUNOJEE-UHFFFAOYSA-M

Molecular Formula

  • C32-H31-F2-N2-O4-S.I

Molecular Weight

  • 704.5689
 
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Names and Synonyms

Synonym

  • EINECS 285-277-8

Systematic Name

  • 5-((Difluoromethyl)sulphonyl)-2-(2-(1-(3-methoxy-3-oxopropyl)-2-phenyl-1H-indol-3-yl)vinyl)-1,3,3-trimethyl-3H-indolium iodide

Registry Numbers

CAS Registry Number

  • 85050-04-0

System Generated Number

  • 0085050040

Molecular Formulas

Molecular Formula

  • C32-H31-F2-N2-O4-S.I

Molecular Formula Fragments

  • C32-H31-F2-N2-O4-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C32H31F2N2O4S.HI/c1-32(2)25-20-22(41(38,39)31(33)34)14-16-27(25)35(3)28(32)17-15-24-23-12-8-9-13-26(23)36(19-18-29(37)40-4)30(24)21-10-6-5-7-11-21;/h5-17,20,31H,18-19H2,1-4H3;1H/q+1;/p-1

InChIKey

RKBKNSWWUNOJEE-UHFFFAOYSA-M

Smiles

CC1(c2cc(ccc2[N+](=C1/C=C/c3c4ccccc4n(c3c5ccccc5)CCC(=O)OC)C)S(=O)(=O)C(F)F)C.[I-]