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4-[2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanoyl]phenolate

4-[2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanoyl]phenolate

Systemtic Name:4-[2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanoyl]phenolate
Openeye Name:4-[2-(4,5-dimethylthiazol-3-ium-3-yl)acetyl]phenolate
CAS Name:4-[2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-oxoethyl]phenolate
IUPAC Name:4-[2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)acetyl]phenolate
Traditional Name:4-[2-(4,5-dimethylthiazol-3-ium-3-yl)acetyl]phenolate
Formula: C13H13NO2S
MolecularWeight: 247.31282
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC=C(C=C2)[O-])C


Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC=C(C=C2)[O-])C


InChI

InChI=1S/C13H13NO2S/c1-9-10(2)17-8-14(9)7-13(16)11-3-5-12(15)6-4-11/h3-6,8H,7H2,1-2H3


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