2,5-bis(chloranyl)aniline; 4-methyl-3-(sulfonylamino)benzenesulfonic acid

Systemtic Name: 2,5-bis(chloranyl)aniline; 4-methyl-3-(sulfonylamino)benzenesulfonic acid Openeye Name: 2,5-dichloroaniline; 4-methyl-3-(sulfonylamino)benzenesulfonic acid CAS Name: 2,5-dichloroaniline; 4-methyl-3-(sulfonylamino)benzenesulfonic acid IUPAC Name: 2,5-dichloroaniline; 4-methyl-3-(sulfonylamino)benzenesulfonic acid Traditional Name: (2,5-dichlorophenyl)amine; 4-methyl-3-(sulfonylamino)besylic acid Formula: C13H12Cl2N2O5S2 MolecularWeight: 411.28078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)N=S(=O)=O.C1=CC(=C(C=C1Cl)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)N=S(=O)=O.C1=CC(=C(C=C1Cl)N)Cl

InChI

InChI=1S/C7H7NO5S2.C6H5Cl2N/c1-5-2-3-6(15(11,12)13)4-7(5)8-14(9)10;7-4-1-2-5(8)6(9)3-4/h2-4H,1H3,(H,11,12,13);1-3H,9H2