Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt structure

Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt

3-(2-methylbenzo[e][1,3]benzoxazol-1-ium-1-yl)propane-1-sulfonate

Also Known As: J3.781.540C|Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt|2-METHYL-1-(3-SULFONATOPROPYL)NAPHTHO[1,2-D][1,3]OXAZOL-1-IUM|3-(2-methylbenzo[e][1,3]benzoxazol-1-ium-1-yl)propane-1-sulfonate|3-(2-Methylnaphtho[1,2-d][1,3]oxazol-1-ium-1-yl)-1-propanesulfonate|3-(2-methylnaphtho[1,2-d][1,3]oxazol-1-ium-1-yl)propane-1-sulfonate

CAS: 71806-08-1
Molecular Formula C15H15NO4S
Molecular Weight 305.07217 g/mol
LogP 2.11722
Topological Polar Surface Area 74.22 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 305.07217
Monoisotopic Mass 305.07217
Heavy Atoms 21
Complexity 911.96423

Chemical Identifiers

CAS Number 71806-08-1
SMILES CC1=[N+](C2=C(O1)C=CC3=CC=CC=C32)CCCS(=O)(=O)[O-]

Product Overview

Naphth[1,2-d]oxazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt (CAS 71806-08-1), with molecular formula C15H15NO4S and molecular weight 305.07217 g/mol. IUPAC: 3-(2-methylbenzo[e][1,3]benzoxazol-1-ium-1-yl)propane-1-sulfonate.

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