2,6-bis(chloranyl)aniline; methyl-[3-(sulfomethyl)phenyl]-sulfonyl-azanium

Systemtic Name: 2,6-bis(chloranyl)aniline; methyl-[3-(sulfomethyl)phenyl]-sulfonyl-azanium Openeye Name: 2,6-dichloroaniline; methyl-[3-(sulfomethyl)phenyl]-sulfonyl-ammonium CAS Name: 2,6-dichloroaniline; methyl-[3-(sulfomethyl)phenyl]-sulfonylammonium IUPAC Name: 2,6-dichloroaniline; methyl-[3-(sulfomethyl)phenyl]-sulfonylazanium Traditional Name: (2,6-dichlorophenyl)amine; methyl-[3-(sulfomethyl)phenyl]-sulfonyl-ammonium Formula: C14H15Cl2N2O5S2+ MolecularWeight: 426.3153

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO5S2.C6H5Cl2N/c1-9(15(10)11)8-4-2-3-7(5-8)6-16(12,13)14;7-4-2-1-3-5(8)6(4)9/h2-5H,6H2,1H3;1-3H,9H2/p+1