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Substance Name: 3H-Indolium, 1-ethyl-2-(3-(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propen-1-yl)-3,3-dimethyl-, 4-methylbenzenesulfonate (1:1)
RN: 65294-07-7
InChIKey: LWRDWVPZCVNXCD-UHFFFAOYSA-M

Molecular Formula

  • C27-H33-N2.C7-H7-O3-S

Molecular Weight

  • 556.767
 
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Names and Synonyms

  • 3H-Indolium, 1-ethyl-2-(3-(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propen-1-yl)-3,3-dimethyl-, 4-methylbenzenesulfonate (1:1)
  • 3H-Indolium, 1-ethyl-2-(3-(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propenyl)-3,3-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 65294-07-7

System Generated Number

  • 0065294077

Molecular Formulas

Molecular Formula

  • C27-H33-N2.C7-H7-O3-S

Molecular Formula Fragments

  • C27-H33-N2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C27H33N2.C7H8O3S/c1-7-28-22-16-11-9-14-20(22)26(3,4)24(28)18-13-19-25-27(5,6)21-15-10-12-17-23(21)29(25)8-2;1-6-2-4-7(5-3-6)11(8,9)10/h9-19H,7-8H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

LWRDWVPZCVNXCD-UHFFFAOYSA-M

Smiles

c12c(C(\C(=C/C=C\C3=[N+](CC)c4ccccc4C3(C)C)N2CC)(C)C)cccc1.S([O-])(=O)(=O)c1ccc(cc1)C