2,5-bis(chloranyl)aniline; methyl-sulfonyl-(3-sulfopropyl)azanium

Systemtic Name: 2,5-bis(chloranyl)aniline; methyl-sulfonyl-(3-sulfopropyl)azanium Openeye Name: 2,5-dichloroaniline; methyl-sulfonyl-(3-sulfopropyl)ammonium CAS Name: 2,5-dichloroaniline; methyl-sulfonyl-(3-sulfopropyl)ammonium IUPAC Name: 2,5-dichloroaniline; methyl-sulfonyl-(3-sulfopropyl)azanium Traditional Name: (2,5-dichlorophenyl)amine; methyl-sulfonyl-(3-sulfopropyl)ammonium Formula: C10H15Cl2N2O5S2+ MolecularWeight: 378.2725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5Cl2N.C4H9NO5S2/c7-4-1-2-5(8)6(9)3-4;1-5(11(6)7)3-2-4-12(8,9)10/h1-3H,9H2;2-4H2,1H3/p+1