3H-Indolium, 1-(5-carboxypentyl)-2,3,3-trimethyl-5-sulfo-, inner salt

CAS Registry Number®

146368-08-3

CAS Name

3H-Indolium, 1-(5-carboxypentyl)-2,3,3-trimethyl-5-sulfo-, inner salt

Molecular Formula

C17H23NO5S

Cite this Page

3H-Indolium, 1-(5-carboxypentyl)-2,3,3-trimethyl-5-sulfo-, inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=146368-08-3 (retrieved 2024-12-22) (CAS RN: 146368-08-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H23NO5S/c1-12-17(2,3)14-11-13(24(21,22)23)8-9-15(14)18(12)10-6-4-5-7-16(19)20/h8-9,11H,4-7,10H2,1-3H3,(H-,19,20,21,22,23)

InChIKey

InChIKey=VNVVCYZHLDDZFJ-UHFFFAOYSA-N

SMILES

C(CCCCC(O)=O)[N+]=1C=2C(C(C)(C)C1C)=CC(S(=O)(=O)[O-])=CC2

Canonical SMILES

O=C(O)CCCCC[N+]=1C=2C=CC(=CC2C(C1C)(C)C)S(=O)(=O)[O-]

Other Names for this Substance

  • 3H-Indolium, 1-(5-carboxypentyl)-2,3,3-trimethyl-5-sulfo-, inner salt
  • 1-(5-Carboxypentyl)-2,3,3-trimethylindolium-5-sulfonate
  • 1-(5-Carboxypentyl)-2,3,3-trimethyl-3H-indol-1-ium-5-sulfonate
  • 1-(5-Carboxypentyl)-2,3,3-trimethyl-3H-5-indoleniumsulfonate

Deleted or Replaced CAS Registry Numbers

198422-73-0, 764634-36-8, 1351457-79-8, 2425631-23-6

CAS INSIGHTSTM
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