2-chloranylaniline; ethyl-sulfonyl-(3-sulfophenyl)azanium

Systemtic Name: 2-chloranylaniline; ethyl-sulfonyl-(3-sulfophenyl)azanium Openeye Name: 2-chloroaniline; ethyl-sulfonyl-(3-sulfophenyl)ammonium CAS Name: 2-chloroaniline; ethyl-sulfonyl-(3-sulfophenyl)ammonium IUPAC Name: 2-chloroaniline; ethyl-sulfonyl-(3-sulfophenyl)azanium Traditional Name: (2-chlorophenyl)amine; ethyl-sulfonyl-(3-sulfophenyl)ammonium Formula: C14H16ClN2O5S2+ MolecularWeight: 391.87024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO5S2.C6H6ClN/c1-2-9(15(10)11)7-4-3-5-8(6-7)16(12,13)14;7-5-3-1-2-4-6(5)8/h3-6H,2H2,1H3;1-4H,8H2/p+1