2,6-bis(chloranyl)aniline; 4-(sulfonylamino)butane-1-sulfonic acid

Systemtic Name: 2,6-bis(chloranyl)aniline; 4-(sulfonylamino)butane-1-sulfonic acid Openeye Name: 2,6-dichloroaniline; 4-(sulfonylamino)butane-1-sulfonic acid CAS Name: 2,6-dichloroaniline; 4-(sulfonylamino)-1-butanesulfonic acid IUPAC Name: 2,6-dichloroaniline; 4-(sulfonylamino)butane-1-sulfonic acid Traditional Name: (2,6-dichlorophenyl)amine; 4-(sulfonylamino)butane-1-sulfonic acid Formula: C10H14Cl2N2O5S2 MolecularWeight: 377.26456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)N)Cl.C(CCS(=O)(=O)O)CN=S(=O)=O

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)N)Cl.C(CCS(=O)(=O)O)CN=S(=O)=O

InChI

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