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

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

Systemtic Name:2-methylidene-5-(2-oxidanylidene-3H-1,2-thiazol-2-ium-3-yl)pentanoic acid
Openeye Name:2-methylene-5-(2-oxo-3H-isothiazol-2-ium-3-yl)pentanoic acid
CAS Name:2-methylene-5-(2-oxo-3H-isothiazol-2-ium-3-yl)pentanoic acid
IUPAC Name:2-methylidene-5-(2-oxo-3H-1,2-thiazol-2-ium-3-yl)pentanoic acid
Traditional Name:2-[3-(2-keto-4-isothiazolin-2-ium-3-yl)propyl]acrylic acid
Formula: C9H12NO3S+
MolecularWeight: 214.26148
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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/p+1


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