N,N-bis(chloranyl)methanamine; methyl hydrogen sulfite; 2-propylpyridine-4-carboxylate

Systemtic Name: N,N-bis(chloranyl)methanamine; methyl hydrogen sulfite; 2-propylpyridine-4-carboxylate Openeye Name: N,N-dichloromethanamine; methyl hydrogen sulfite; 2-propylpyridine-4-carboxylate CAS Name: N,N-dichloromethanamine; 2-propyl-4-pyridinecarboxylate; sulfurous acid methyl ester IUPAC Name: N,N-dichloromethanamine; methyl hydrogen sulfite; 2-propylpyridine-4-carboxylate Traditional Name: dichloro(methyl)amine; 2-propylisonicotinate; sulfurous acid methyl ester Formula: C11H17Cl2N2O5S- MolecularWeight: 360.23408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=CC(=C1)C(=O)[O-].CN(Cl)Cl.COS(=O)O

Isomeric SMILES

CCCC1=NC=CC(=C1)C(=O)[O-].CN(Cl)Cl.COS(=O)O

InChI

InChI=1S/C9H11NO2.CH3Cl2N.CH4O3S/c1-2-3-8-6-7(9(11)12)4-5-10-8;1-4(2)3;1-4-5(2)3/h4-6H,2-3H2,1H3,(H,11,12);1H3;1H3,(H,2,3)/p-1