3-chloranylaniline; 4-(sulfonylamino)benzenesulfonic acid

Systemtic Name: 3-chloranylaniline; 4-(sulfonylamino)benzenesulfonic acid Openeye Name: 3-chloroaniline; 4-(sulfonylamino)benzenesulfonic acid CAS Name: 3-chloroaniline; 4-(sulfonylamino)benzenesulfonic acid IUPAC Name: 3-chloroaniline; 4-(sulfonylamino)benzenesulfonic acid Traditional Name: (3-chlorophenyl)amine; 4-(sulfonylamino)besylic acid Formula: C12H11ClN2O5S2 MolecularWeight: 362.80914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N.C1=CC(=CC=C1N=S(=O)=O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N.C1=CC(=CC=C1N=S(=O)=O)S(=O)(=O)O

InChI

InChI=1S/C6H6ClN.C6H5NO5S2/c7-5-2-1-3-6(8)4-5;8-13(9)7-5-1-3-6(4-2-5)14(10,11)12/h1-4H,8H2;1-4H,(H,10,11,12)