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Substance Name: 3H-Indolium, 2-(2-(2,5-dihydro-2-methyl-5-oxo-3-phenyl-4-isoxazolyl)ethenyl)-1-ethyl-3,3-dimethyl-5-(phenylsulfonyl)-, 4-methylbenzenesulfonate (1:1)
RN: 70714-82-8
InChIKey: CQFDBBTZXKBNIX-UHFFFAOYSA-N

Molecular Formula

  • C30-H29-N2-O4-S.C7-H7-O3-S

Molecular Weight

  • 685.838
 
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Names and Synonyms

Synonym

  • EINECS 274-807-3

Systematic Names

  • 2-(2-(2,5-Dihydro-2-methyl-5-oxo-3-phenylisoxazol-4-yl)vinyl)-1-ethyl-3,3-dimethyl-5-(phenylsulphonyl)-3H-indolium toluene-p-sulphonate
  • 3H-Indolium, 2-(2-(2,5-dihydro-2-methyl-5-oxo-3-phenyl-4-isoxazolyl)ethenyl)-1-ethyl-3,3-dimethyl-5-(phenylsulfonyl)-, 4-methylbenzenesulfonate (1:1)
  • 3H-Indolium, 2-(2-(2,5-dihydro-2-methyl-5-oxo-3-phenyl-4-isoxazolyl)ethenyl)-1-ethyl-3,3-dimethyl-5-(phenylsulfonyl)-, salt with 4-methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 70714-82-8

System Generated Number

  • 0070714828

Molecular Formulas

Molecular Formula

  • C30-H29-N2-O4-S.C7-H7-O3-S

Molecular Formula Fragments

  • C30-H29-N2-O4-S
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C30H29N2O4S.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h6-20H,5H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;

InChIKey

CQFDBBTZXKBNIX-UHFFFAOYSA-N

Smiles

c1(S(=O)(O)=O)ccc(C)cc1.[N+]1(=C(C(c2cc(ccc12)S(=O)(=O)c1ccccc1)(C)C)\C=C\c1c(n(oc1=O)C)c1ccccc1)CC