2,6-bis(chloranyl)aniline; methyl-sulfonyl-(3-sulfophenyl)azanium

Systemtic Name: 2,6-bis(chloranyl)aniline; methyl-sulfonyl-(3-sulfophenyl)azanium Openeye Name: 2,6-dichloroaniline; methyl-sulfonyl-(3-sulfophenyl)ammonium CAS Name: 2,6-dichloroaniline; methyl-sulfonyl-(3-sulfophenyl)ammonium IUPAC Name: 2,6-dichloroaniline; methyl-sulfonyl-(3-sulfophenyl)azanium Traditional Name: (2,6-dichlorophenyl)amine; methyl-sulfonyl-(3-sulfophenyl)ammonium Formula: C13H13Cl2N2O5S2+ MolecularWeight: 412.28872

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=S(=O)=O)C1=CC(=CC=C1)S(=O)(=O)O.C1=CC(=C(C(=C1)Cl)N)Cl

Isomeric SMILES

C[N+](=S(=O)=O)C1=CC(=CC=C1)S(=O)(=O)O.C1=CC(=C(C(=C1)Cl)N)Cl

InChI

InChI=1S/C7H7NO5S2.C6H5Cl2N/c1-8(14(9)10)6-3-2-4-7(5-6)15(11,12)13;7-4-2-1-3-5(8)6(4)9/h2-5H,1H3;1-3H,9H2/p+1