3-chloranylaniline; methyl-sulfonyl-(3-sulfophenyl)azanium

Systemtic Name: 3-chloranylaniline; methyl-sulfonyl-(3-sulfophenyl)azanium Openeye Name: 3-chloroaniline; methyl-sulfonyl-(3-sulfophenyl)ammonium CAS Name: 3-chloroaniline; methyl-sulfonyl-(3-sulfophenyl)ammonium IUPAC Name: 3-chloroaniline; methyl-sulfonyl-(3-sulfophenyl)azanium Traditional Name: (3-chlorophenyl)amine; methyl-sulfonyl-(3-sulfophenyl)ammonium Formula: C13H14ClN2O5S2+ MolecularWeight: 377.84366

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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(=CC(=C1)Cl)N

Isomeric SMILES

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

InChI

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