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Substance Name: Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1)
RN: 63467-99-2
InChIKey: PABVOCSYKFJCJL-UHFFFAOYSA-M

Molecular Formula

  • C16-H16-N-O.C7-H7-O3-S

Molecular Weight

  • 409.5037
 
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Names and Synonyms

Synonym

  • Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Systematic Names

  • Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1)
  • Benzoxazolium, 3-ethyl-2-methyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 63467-99-2

System Generated Number

  • 0063467992

Molecular Formulas

Molecular Formula

  • C16-H16-N-O.C7-H7-O3-S

Molecular Formula Fragments

  • C16-H16-N-O
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C16H16NO.C7H8O3S/c1-3-17-12(2)18-16-10-9-14(11-15(16)17)13-7-5-4-6-8-13;1-6-2-4-7(5-3-6)11(8,9)10/h4-11H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

PABVOCSYKFJCJL-UHFFFAOYSA-M

Smiles

CC[n+]1c(oc2c1cc(cc2)c3ccccc3)C.Cc1ccc(cc1)S(=O)(=O)[O-]