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

Systemtic Name: 2,5-bis(chloranyl)aniline; methyl-(2-sulfoethyl)-sulfonyl-azanium Openeye Name: 2,5-dichloroaniline; methyl-(2-sulfoethyl)-sulfonyl-ammonium CAS Name: 2,5-dichloroaniline; methyl-(2-sulfoethyl)-sulfonylammonium IUPAC Name: 2,5-dichloroaniline; methyl-(2-sulfoethyl)-sulfonylazanium Traditional Name: (2,5-dichlorophenyl)amine; methyl-(2-sulfoethyl)-sulfonyl-ammonium Formula: C9H13Cl2N2O5S2+ MolecularWeight: 364.24592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5Cl2N.C3H7NO5S2/c7-4-1-2-5(8)6(9)3-4;1-4(10(5)6)2-3-11(7,8)9/h1-3H,9H2;2-3H2,1H3/p+1