2,5-bis(chloranyl)aniline; methyl-(4-sulfobutan-2-yl)-sulfonyl-azanium

Systemtic Name: 2,5-bis(chloranyl)aniline; methyl-(4-sulfobutan-2-yl)-sulfonyl-azanium Openeye Name: 2,5-dichloroaniline; methyl-(1-methyl-3-sulfo-propyl)-sulfonyl-ammonium CAS Name: 2,5-dichloroaniline; methyl-(4-sulfobutan-2-yl)-sulfonylammonium IUPAC Name: 2,5-dichloroaniline; methyl-(4-sulfobutan-2-yl)-sulfonylazanium Traditional Name: (2,5-dichlorophenyl)amine; methyl-(1-methyl-3-sulfo-propyl)-sulfonyl-ammonium Formula: C11H17Cl2N2O5S2+ MolecularWeight: 392.29908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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