2-chloranylethanoate; ethanoic acid; pyridin-1-ium

Systemtic Name: 2-chloranylethanoate; ethanoic acid; pyridin-1-ium Openeye Name: acetic acid; 2-chloroacetate; pyridin-1-ium CAS Name: acetic acid; 2-chloroacetate; pyridin-1-ium IUPAC Name: acetic acid; 2-chloroacetate; pyridin-1-ium Traditional Name: acetic acid; 2-chloroacetate; pyridin-1-ium Formula: C9H12ClNO4 MolecularWeight: 233.64888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=[NH+]C=C1.C(C(=O)[O-])Cl

Isomeric SMILES

CC(=O)O.C1=CC=[NH+]C=C1.C(C(=O)[O-])Cl

InChI

InChI=1S/C5H5N.C2H3ClO2.C2H4O2/c1-2-4-6-5-3-1;3-1-2(4)5;1-2(3)4/h1-5H;1H2,(H,4,5);1H3,(H,3,4)