2,5-bis(chloranyl)aniline; ethyl-[3-(sulfomethyl)phenyl]-sulfonyl-azanium

Systemtic Name: 2,5-bis(chloranyl)aniline; ethyl-[3-(sulfomethyl)phenyl]-sulfonyl-azanium Openeye Name: 2,5-dichloroaniline; ethyl-[3-(sulfomethyl)phenyl]-sulfonyl-ammonium CAS Name: 2,5-dichloroaniline; ethyl-[3-(sulfomethyl)phenyl]-sulfonylammonium IUPAC Name: 2,5-dichloroaniline; ethyl-[3-(sulfomethyl)phenyl]-sulfonylazanium Traditional Name: (2,5-dichlorophenyl)amine; ethyl-[3-(sulfomethyl)phenyl]-sulfonyl-ammonium Formula: C15H17Cl2N2O5S2+ MolecularWeight: 440.34188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO5S2.C6H5Cl2N/c1-2-10(16(11)12)9-5-3-4-8(6-9)7-17(13,14)15;7-4-1-2-5(8)6(9)3-4/h3-6H,2,7H2,1H3;1-3H,9H2/p+1