2-chloranylaniline; methyl-sulfonyl-(4-sulfophenyl)azanium

Systemtic Name: 2-chloranylaniline; methyl-sulfonyl-(4-sulfophenyl)azanium Openeye Name: 2-chloroaniline; methyl-sulfonyl-(4-sulfophenyl)ammonium CAS Name: 2-chloroaniline; methyl-sulfonyl-(4-sulfophenyl)ammonium IUPAC Name: 2-chloroaniline; methyl-sulfonyl-(4-sulfophenyl)azanium Traditional Name: (2-chlorophenyl)amine; methyl-sulfonyl-(4-sulfophenyl)ammonium Formula: C13H14ClN2O5S2+ MolecularWeight: 377.84366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO5S2.C6H6ClN/c1-8(14(9)10)6-2-4-7(5-3-6)15(11,12)13;7-5-3-1-2-4-6(5)8/h2-5H,1H3;1-4H,8H2/p+1