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2-methylidene-5-(2-oxidanylidene-3H-1,2-thiazol-2-ium-3-yl)pentanoate

2-methylidene-5-(2-oxidanylidene-3H-1,2-thiazol-2-ium-3-yl)pentanoate

Systemtic Name:2-methylidene-5-(2-oxidanylidene-3H-1,2-thiazol-2-ium-3-yl)pentanoate
Openeye Name:2-methylene-5-(2-oxo-3H-isothiazol-2-ium-3-yl)pentanoate
CAS Name:2-methylene-5-(2-oxo-3H-isothiazol-2-ium-3-yl)pentanoate
IUPAC Name:2-methylidene-5-(2-oxo-3H-1,2-thiazol-2-ium-3-yl)pentanoate
Traditional Name:2-[3-(2-keto-4-isothiazolin-2-ium-3-yl)propyl]acrylate
Formula: C9H11NO3S
MolecularWeight: 213.25354
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Descriptors Computed from Structure

Canonical SMILES:

C=C(CCCC1C=CS[N+]1=O)C(=O)[O-]


Isomeric SMILES

C=C(CCCC1C=CS[N+]1=O)C(=O)[O-]


InChI

InChI=1S/C9H11NO3S/c1-7(9(11)12)3-2-4-8-5-6-14-10(8)13/h5-6,8H,1-4H2


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