2-chloranylethanoic acid; 2-propyl-1,2-thiazol-3-one

Systemtic Name: 2-chloranylethanoic acid; 2-propyl-1,2-thiazol-3-one Openeye Name: 2-chloroacetic acid; 2-propylisothiazol-3-one CAS Name: 2-chloroacetic acid; 2-propyl-3-isothiazolone IUPAC Name: 2-chloroacetic acid; 2-propyl-1,2-thiazol-3-one Traditional Name: 2-chloroacetic acid; 2-propyl-4-isothiazolin-3-one Formula: C8H12ClNO3S MolecularWeight: 237.70378

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CS1.C(C(=O)O)Cl

Isomeric SMILES

CCCN1C(=O)C=CS1.C(C(=O)O)Cl

InChI

InChI=1S/C6H9NOS.C2H3ClO2/c1-2-4-7-6(8)3-5-9-7;3-1-2(4)5/h3,5H,2,4H2,1H3;1H2,(H,4,5)