2,5-bis(chloranyl)aniline; propyl-(2-sulfoethyl)-sulfonyl-azanium

Systemtic Name: 2,5-bis(chloranyl)aniline; propyl-(2-sulfoethyl)-sulfonyl-azanium Openeye Name: 2,5-dichloroaniline; propyl-(2-sulfoethyl)-sulfonyl-ammonium CAS Name: 2,5-dichloroaniline; propyl-(2-sulfoethyl)-sulfonylammonium IUPAC Name: 2,5-dichloroaniline; propyl-(2-sulfoethyl)-sulfonylazanium Traditional Name: (2,5-dichlorophenyl)amine; propyl-(2-sulfoethyl)-sulfonyl-ammonium Formula: C11H17Cl2N2O5S2+ MolecularWeight: 392.29908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5Cl2N.C5H11NO5S2/c7-4-1-2-5(8)6(9)3-4;1-2-3-6(12(7)8)4-5-13(9,10)11/h1-3H,9H2;2-5H2,1H3/p+1