2,6-bis(chloranyl)aniline; ethyl-(4-phenoxy-3-sulfo-phenyl)-sulfonyl-azanium

Systemtic Name: 2,6-bis(chloranyl)aniline; ethyl-(4-phenoxy-3-sulfo-phenyl)-sulfonyl-azanium Openeye Name: 2,6-dichloroaniline; ethyl-(4-phenoxy-3-sulfo-phenyl)-sulfonyl-ammonium CAS Name: 2,6-dichloroaniline; ethyl-(4-phenoxy-3-sulfophenyl)-sulfonylammonium IUPAC Name: 2,6-dichloroaniline; ethyl-(4-phenoxy-3-sulfophenyl)-sulfonylazanium Traditional Name: (2,6-dichlorophenyl)amine; ethyl-(4-phenoxy-3-sulfo-phenyl)-sulfonyl-ammonium Formula: C20H19Cl2N2O6S2+ MolecularWeight: 518.41066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=S(=O)=O)C1=CC(=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)O.C1=CC(=C(C(=C1)Cl)N)Cl

Isomeric SMILES

CC[N+](=S(=O)=O)C1=CC(=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)O.C1=CC(=C(C(=C1)Cl)N)Cl

InChI

InChI=1S/C14H13NO6S2.C6H5Cl2N/c1-2-15(22(16)17)11-8-9-13(14(10-11)23(18,19)20)21-12-6-4-3-5-7-12;7-4-2-1-3-5(8)6(4)9/h3-10H,2H2,1H3;1-3H,9H2/p+1