3H-Indolium, 5-methoxy-2,3,3-trimethyl-1-(4-sulfobutyl)-, inner salt

CAS Registry Number®

54136-27-5

CAS Name

3H-Indolium, 5-methoxy-2,3,3-trimethyl-1-(4-sulfobutyl)-, inner salt

Molecular Formula

C16H23NO4S

Cite this Page

3H-Indolium, 5-methoxy-2,3,3-trimethyl-1-(4-sulfobutyl)-, inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54136-27-5 (retrieved 2024-11-25) (CAS RN: 54136-27-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H23NO4S/c1-12-16(2,3)14-11-13(21-4)7-8-15(14)17(12)9-5-6-10-22(18,19)20/h7-8,11H,5-6,9-10H2,1-4H3

InChIKey

InChIKey=PVYCRNUCAJPUFN-UHFFFAOYSA-N

SMILES

C(CCCS(=O)(=O)[O-])[N+]=1C=2C(C(C)(C)C1C)=CC(OC)=CC2

Canonical SMILES

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

Other Names for this Substance

  • 3H-Indolium, 5-methoxy-2,3,3-trimethyl-1-(4-sulfobutyl)-, inner salt

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