2-chloranyl-8-thiabicyclo[2.2.2]octa-1,3,5-triene; ethanamine; 2-oxidanylethanoate

Systemtic Name: 2-chloranyl-8-thiabicyclo[2.2.2]octa-1,3,5-triene; ethanamine; 2-oxidanylethanoate Openeye Name: 2-chloro-8-thiabicyclo[2.2.2]octa-1,3,5-triene; ethanamine; 2-hydroxyacetate CAS Name: 2-chloro-8-thiabicyclo[2.2.2]octa-1,3,5-triene; ethanamine; 2-hydroxyacetate IUPAC Name: 2-chloro-8-thiabicyclo[2.2.2]octa-1,3,5-triene; ethanamine; 2-hydroxyacetate Traditional Name: 2-chloro-8-thiabicyclo[2.2.2]octa-1,3,5-triene; ethylamine; glycolate Formula: C11H15ClNO3S- MolecularWeight: 276.7597

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Descriptors Computed from Structure

Canonical SMILES:

CCN.C1C2=C(C=C(S1)C=C2)Cl.C(C(=O)[O-])O

Isomeric SMILES

CCN.C1C2=C(C=C(S1)C=C2)Cl.C(C(=O)[O-])O

InChI

InChI=1S/C7H5ClS.C2H7N.C2H4O3/c8-7-3-6-2-1-5(7)4-9-6;1-2-3;3-1-2(4)5/h1-3H,4H2;2-3H2,1H3;3H,1H2,(H,4,5)/p-1