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2-methylidene-4-(2-oxidanylidene-3H-1,2-thiazol-2-ium-3-yl)butanoic acid

2-methylidene-4-(2-oxidanylidene-3H-1,2-thiazol-2-ium-3-yl)butanoic acid

Systemtic Name:2-methylidene-4-(2-oxidanylidene-3H-1,2-thiazol-2-ium-3-yl)butanoic acid
Openeye Name:2-methylene-4-(2-oxo-3H-isothiazol-2-ium-3-yl)butanoic acid
CAS Name:2-methylene-4-(2-oxo-3H-isothiazol-2-ium-3-yl)butanoic acid
IUPAC Name:2-methylidene-4-(2-oxo-3H-1,2-thiazol-2-ium-3-yl)butanoic acid
Traditional Name:2-[2-(2-keto-4-isothiazolin-2-ium-3-yl)ethyl]acrylic acid
Formula: C8H10NO3S+
MolecularWeight: 200.2349
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Descriptors Computed from Structure

Canonical SMILES:

C=C(CCC1C=CS[N+]1=O)C(=O)O


Isomeric SMILES

C=C(CCC1C=CS[N+]1=O)C(=O)O


InChI

InChI=1S/C8H9NO3S/c1-6(8(10)11)2-3-7-4-5-13-9(7)12/h4-5,7H,1-3H2/p+1


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