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

Systemtic Name: 2-chloranylaniline; methyl-(2-sulfoethyl)-sulfonyl-azanium Openeye Name: 2-chloroaniline; methyl-(2-sulfoethyl)-sulfonyl-ammonium CAS Name: 2-chloroaniline; methyl-(2-sulfoethyl)-sulfonylammonium IUPAC Name: 2-chloroaniline; methyl-(2-sulfoethyl)-sulfonylazanium Traditional Name: (2-chlorophenyl)amine; methyl-(2-sulfoethyl)-sulfonyl-ammonium Formula: C9H14ClN2O5S2+ MolecularWeight: 329.80086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6ClN.C3H7NO5S2/c7-5-3-1-2-4-6(5)8;1-4(10(5)6)2-3-11(7,8)9/h1-4H,8H2;2-3H2,1H3/p+1