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

Systemtic Name: 3-chloranylaniline; ethyl-(2-sulfoethyl)-sulfonyl-azanium Openeye Name: 3-chloroaniline; ethyl-(2-sulfoethyl)-sulfonyl-ammonium CAS Name: 3-chloroaniline; ethyl-(2-sulfoethyl)-sulfonylammonium IUPAC Name: 3-chloroaniline; ethyl-(2-sulfoethyl)-sulfonylazanium Traditional Name: (3-chlorophenyl)amine; ethyl-(2-sulfoethyl)-sulfonyl-ammonium Formula: C10H16ClN2O5S2+ MolecularWeight: 343.82744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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