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

Systemtic Name: 2-chloranylbutanoate; ethanoic acid; pyridin-1-ium Openeye Name: acetic acid; 2-chlorobutanoate; pyridin-1-ium CAS Name: acetic acid; 2-chlorobutanoate; pyridin-1-ium IUPAC Name: acetic acid; 2-chlorobutanoate; pyridin-1-ium Traditional Name: acetic acid; 2-chlorobutyrate; pyridin-1-ium Formula: C11H16ClNO4 MolecularWeight: 261.70204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H5N.C4H7ClO2.C2H4O2/c1-2-4-6-5-3-1;1-2-3(5)4(6)7;1-2(3)4/h1-5H;3H,2H2,1H3,(H,6,7);1H3,(H,3,4)