2-chloranylaniline; ethyl-(2-sulfoethyl)-sulfonyl-azanium

Systemtic Name: 2-chloranylaniline; ethyl-(2-sulfoethyl)-sulfonyl-azanium Openeye Name: 2-chloroaniline; ethyl-(2-sulfoethyl)-sulfonyl-ammonium CAS Name: 2-chloroaniline; ethyl-(2-sulfoethyl)-sulfonylammonium IUPAC Name: 2-chloroaniline; ethyl-(2-sulfoethyl)-sulfonylazanium Traditional Name: (2-chlorophenyl)amine; ethyl-(2-sulfoethyl)-sulfonyl-ammonium Formula: C10H16ClN2O5S2+ MolecularWeight: 343.82744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6ClN.C4H9NO5S2/c7-5-3-1-2-4-6(5)8;1-2-5(11(6)7)3-4-12(8,9)10/h1-4H,8H2;2-4H2,1H3/p+1