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Substance Name: Isoxazolium, 4-(2-(1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene)ethylidene)-4,5-dihydro-2-methyl-5-oxo-3-phenyl-, iodide (1:1)
RN: 68516-61-0
InChIKey: RBOAQJHVDJPEHQ-UHFFFAOYSA-M

Molecular Formula

  • C30-H29-N2-O4-S.I

Molecular Weight

  • 640.535
 
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Names and Synonyms

Synonym

  • EINECS 271-166-1

Systematic Names

  • 4-((1-Ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulphonyl)-2H-indol-2-ylidene)ethylidene)-4,5-dihydro-2-methyl-5-oxo-3-phenylisoxazolium iodide
  • Isoxazolium, 4-((1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene)ethylidene)-4,5-dihydro-2-methyl-5-oxo-3-phenyl-, iodide
  • Isoxazolium, 4-(2-(1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene)ethylidene)-4,5-dihydro-2-methyl-5-oxo-3-phenyl-, iodide (1:1)

Registry Numbers

CAS Registry Number

  • 68516-61-0

System Generated Number

  • 0068516610

Molecular Formulas

Molecular Formula

  • C30-H29-N2-O4-S.I

Molecular Formula Fragments

  • C30-H29-N2-O4-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C30H29N2O4S.HI/c1-5-32-26-18-16-23(37(34,35)22-14-10-7-11-15-22)20-25(26)30(2,3)27(32)19-17-24-28(31(4)36-29(24)33)21-12-8-6-9-13-21;/h6-20H,5H2,1-4H3;1H/q+1;/p-1

InChIKey

RBOAQJHVDJPEHQ-UHFFFAOYSA-M

Smiles

c12N(CC)\C(=C/C=C3/C(=O)O[N+](C)=C3c3ccccc3)C(C)(C)c1cc(S(=O)(=O)c1ccccc1)cc2.[IH-]