2,5-bis(chloranyl)aniline; methyl-(4-phenoxy-3-sulfo-phenyl)-sulfonyl-azanium

Systemtic Name: 2,5-bis(chloranyl)aniline; methyl-(4-phenoxy-3-sulfo-phenyl)-sulfonyl-azanium Openeye Name: 2,5-dichloroaniline; methyl-(4-phenoxy-3-sulfo-phenyl)-sulfonyl-ammonium CAS Name: 2,5-dichloroaniline; methyl-(4-phenoxy-3-sulfophenyl)-sulfonylammonium IUPAC Name: 2,5-dichloroaniline; methyl-(4-phenoxy-3-sulfophenyl)-sulfonylazanium Traditional Name: (2,5-dichlorophenyl)amine; methyl-(4-phenoxy-3-sulfo-phenyl)-sulfonyl-ammonium Formula: C19H17Cl2N2O6S2+ MolecularWeight: 504.38408

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=S(=O)=O)C1=CC(=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)O.C1=CC(=C(C=C1Cl)N)Cl

Isomeric SMILES

C[N+](=S(=O)=O)C1=CC(=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)O.C1=CC(=C(C=C1Cl)N)Cl

InChI

InChI=1S/C13H11NO6S2.C6H5Cl2N/c1-14(21(15)16)10-7-8-12(13(9-10)22(17,18)19)20-11-5-3-2-4-6-11;7-4-1-2-5(8)6(9)3-4/h2-9H,1H3;1-3H,9H2/p+1