N,N-bis(chloranyl)methanamine; methyl hydrogen sulfite; 2-propylpyridine-3-carboxylate

Systemtic Name: N,N-bis(chloranyl)methanamine; methyl hydrogen sulfite; 2-propylpyridine-3-carboxylate Openeye Name: N,N-dichloromethanamine; methyl hydrogen sulfite; 2-propylpyridine-3-carboxylate CAS Name: N,N-dichloromethanamine; 2-propyl-3-pyridinecarboxylate; sulfurous acid methyl ester IUPAC Name: N,N-dichloromethanamine; methyl hydrogen sulfite; 2-propylpyridine-3-carboxylate Traditional Name: dichloro(methyl)amine; 2-propylnicotinate; sulfurous acid methyl ester Formula: C11H17Cl2N2O5S- MolecularWeight: 360.23408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=N1)C(=O)[O-].CN(Cl)Cl.COS(=O)O

Isomeric SMILES

CCCC1=C(C=CC=N1)C(=O)[O-].CN(Cl)Cl.COS(=O)O

InChI

InChI=1S/C9H11NO2.CH3Cl2N.CH4O3S/c1-2-4-8-7(9(11)12)5-3-6-10-8;1-4(2)3;1-4-5(2)3/h3,5-6H,2,4H2,1H3,(H,11,12);1H3;1H3,(H,2,3)/p-1