2,5-bis(chloranyl)aniline; 3-(sulfonylamino)butane-1-sulfonic acid

Systemtic Name: 2,5-bis(chloranyl)aniline; 3-(sulfonylamino)butane-1-sulfonic acid Openeye Name: 2,5-dichloroaniline; 3-(sulfonylamino)butane-1-sulfonic acid CAS Name: 2,5-dichloroaniline; 3-(sulfonylamino)-1-butanesulfonic acid IUPAC Name: 2,5-dichloroaniline; 3-(sulfonylamino)butane-1-sulfonic acid Traditional Name: (2,5-dichlorophenyl)amine; 3-(sulfonylamino)butane-1-sulfonic acid Formula: C10H14Cl2N2O5S2 MolecularWeight: 377.26456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5Cl2N.C4H9NO5S2/c7-4-1-2-5(8)6(9)3-4;1-4(5-11(6)7)2-3-12(8,9)10/h1-3H,9H2;4H,2-3H2,1H3,(H,8,9,10)