2-Methyl-5-phenyl-3-(3-sulfopropyl)benzoxazolium inner salt

CAS Registry Number®

66142-15-2

CAS Name

2-Methyl-5-phenyl-3-(3-sulfopropyl)benzoxazolium inner salt

Molecular Formula

C17H17NO4S

Cite this Page

2-Methyl-5-phenyl-3-(3-sulfopropyl)benzoxazolium inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=66142-15-2 (retrieved 2024-11-22) (CAS RN: 66142-15-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H17NO4S/c1-13-18(10-5-11-23(19,20)21)16-12-15(8-9-17(16)22-13)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3

InChIKey

InChIKey=DKMBQSTXNOURJD-UHFFFAOYSA-N

SMILES

C(CCS(=O)(=O)[O-])[N+]=1C=2C(OC1C)=CC=C(C2)C3=CC=CC=C3

Canonical SMILES

O=S(=O)([O-])CCC[N+]=1C2=CC(=CC=C2OC1C)C=3C=CC=CC3

Other Names for this Substance

  • Benzoxazolium, 2-methyl-5-phenyl-3-(3-sulfopropyl)-, inner salt
  • Benzoxazolium, 2-methyl-5-phenyl-3-(3-sulfopropyl)-, hydroxide, inner salt
  • 2-Methyl-5-phenyl-3-(3-sulfopropyl)benzoxazolium inner salt