2,5-bis(chloranyl)aniline; ethyl-sulfonyl-(4-sulfophenyl)azanium

Systemtic Name: 2,5-bis(chloranyl)aniline; ethyl-sulfonyl-(4-sulfophenyl)azanium Openeye Name: 2,5-dichloroaniline; ethyl-sulfonyl-(4-sulfophenyl)ammonium CAS Name: 2,5-dichloroaniline; ethyl-sulfonyl-(4-sulfophenyl)ammonium IUPAC Name: 2,5-dichloroaniline; ethyl-sulfonyl-(4-sulfophenyl)azanium Traditional Name: (2,5-dichlorophenyl)amine; ethyl-sulfonyl-(4-sulfophenyl)ammonium Formula: C14H15Cl2N2O5S2+ MolecularWeight: 426.3153

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=S(=O)=O)C1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(C=C1Cl)N)Cl

Isomeric SMILES

CC[N+](=S(=O)=O)C1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(C=C1Cl)N)Cl

InChI

InChI=1S/C8H9NO5S2.C6H5Cl2N/c1-2-9(15(10)11)7-3-5-8(6-4-7)16(12,13)14;7-4-1-2-5(8)6(9)3-4/h3-6H,2H2,1H3;1-3H,9H2/p+1