2,5-bis(chloranyl)aniline; 2-phenoxy-5-(sulfonylamino)benzenesulfonic acid

Systemtic Name: 2,5-bis(chloranyl)aniline; 2-phenoxy-5-(sulfonylamino)benzenesulfonic acid Openeye Name: 2,5-dichloroaniline; 2-phenoxy-5-(sulfonylamino)benzenesulfonic acid CAS Name: 2,5-dichloroaniline; 2-phenoxy-5-(sulfonylamino)benzenesulfonic acid IUPAC Name: 2,5-dichloroaniline; 2-phenoxy-5-(sulfonylamino)benzenesulfonic acid Traditional Name: (2,5-dichlorophenyl)amine; 2-phenoxy-5-(sulfonylamino)besylic acid Formula: C18H14Cl2N2O6S2 MolecularWeight: 489.34956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9NO6S2.C6H5Cl2N/c14-20(15)13-9-6-7-11(12(8-9)21(16,17)18)19-10-4-2-1-3-5-10;7-4-1-2-5(8)6(9)3-4/h1-8H,(H,16,17,18);1-3H,9H2