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

Systemtic Name: 2-chloranylpentanoate; ethanoic acid; pyridin-1-ium Openeye Name: acetic acid; 2-chloropentanoate; pyridin-1-ium CAS Name: acetic acid; 2-chloropentanoate; pyridin-1-ium IUPAC Name: acetic acid; 2-chloropentanoate; pyridin-1-ium Traditional Name: acetic acid; 2-chlorovalerate; pyridin-1-ium Formula: C12H18ClNO4 MolecularWeight: 275.72862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H9ClO2.C5H5N.C2H4O2/c1-2-3-4(6)5(7)8;1-2-4-6-5-3-1;1-2(3)4/h4H,2-3H2,1H3,(H,7,8);1-5H;1H3,(H,3,4)