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| IUPAC Name: | 3-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate |
| Description: | 2-Methyl-5-phenyl-3-(3-sulfopropyl)benzoxazolium hydroxide inner salt (CAS# 66142-15-2 ) is a useful research chemical. |
| Molecular Weight: | 331.39 |
| Molecular Formula: | C17H17NO4S |
| Canonical SMILES: | CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)[O-] |
| 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 |
| InChI Key: | DKMBQSTXNOURJD-UHFFFAOYSA-N |
| LogP: | 3.71180 |
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