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

Systemtic Name: 2,5-bis(chloranyl)aniline; (4-ethoxy-3-sulfo-phenyl)-methyl-sulfonyl-azanium Openeye Name: 2,5-dichloroaniline; (4-ethoxy-3-sulfo-phenyl)-methyl-sulfonyl-ammonium CAS Name: 2,5-dichloroaniline; (4-ethoxy-3-sulfophenyl)-methyl-sulfonylammonium IUPAC Name: 2,5-dichloroaniline; (4-ethoxy-3-sulfophenyl)-methyl-sulfonylazanium Traditional Name: (2,5-dichlorophenyl)amine; (4-ethoxy-3-sulfo-phenyl)-methyl-sulfonyl-ammonium Formula: C15H17Cl2N2O6S2+ MolecularWeight: 456.34128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)[N+](=S(=O)=O)C)S(=O)(=O)O.C1=CC(=C(C=C1Cl)N)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)[N+](=S(=O)=O)C)S(=O)(=O)O.C1=CC(=C(C=C1Cl)N)Cl

InChI

InChI=1S/C9H11NO6S2.C6H5Cl2N/c1-3-16-8-5-4-7(10(2)17(11)12)6-9(8)18(13,14)15;7-4-1-2-5(8)6(9)3-4/h4-6H,3H2,1-2H3;1-3H,9H2/p+1