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

Systemtic Name: 2-chloranylaniline; ethyl-sulfonyl-(3-sulfopropyl)azanium Openeye Name: 2-chloroaniline; ethyl-sulfonyl-(3-sulfopropyl)ammonium CAS Name: 2-chloroaniline; ethyl-sulfonyl-(3-sulfopropyl)ammonium IUPAC Name: 2-chloroaniline; ethyl-sulfonyl-(3-sulfopropyl)azanium Traditional Name: (2-chlorophenyl)amine; ethyl-sulfonyl-(3-sulfopropyl)ammonium Formula: C11H18ClN2O5S2+ MolecularWeight: 357.85402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6ClN.C5H11NO5S2/c7-5-3-1-2-4-6(5)8;1-2-6(12(7)8)4-3-5-13(9,10)11/h1-4H,8H2;2-5H2,1H3/p+1