2-chloranylethanoic acid; 2-(4,5-dihydroimidazol-1-ylsulfanyl)ethanoic acid

Systemtic Name: 2-chloranylethanoic acid; 2-(4,5-dihydroimidazol-1-ylsulfanyl)ethanoic acid Openeye Name: 2-chloroacetic acid; 2-(4,5-dihydroimidazol-1-ylsulfanyl)acetic acid CAS Name: 2-chloroacetic acid; 2-(4,5-dihydroimidazol-1-ylthio)acetic acid IUPAC Name: 2-chloroacetic acid; 2-(4,5-dihydroimidazol-1-ylsulfanyl)acetic acid Traditional Name: 2-chloroacetic acid; 2-(2-imidazolin-1-ylthio)acetic acid Formula: C7H11ClN2O4S MolecularWeight: 254.69124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C=N1)SCC(=O)O.C(C(=O)O)Cl

Isomeric SMILES

C1CN(C=N1)SCC(=O)O.C(C(=O)O)Cl

InChI

InChI=1S/C5H8N2O2S.C2H3ClO2/c8-5(9)3-10-7-2-1-6-4-7;3-1-2(4)5/h4H,1-3H2,(H,8,9);1H2,(H,4,5)