2-azanylbenzene-1,4-disulfonic acid; 4-azanyl-2,5-bis(chloranyl)benzenesulfonic acid

Systemtic Name: 2-azanylbenzene-1,4-disulfonic acid; 4-azanyl-2,5-bis(chloranyl)benzenesulfonic acid Openeye Name: 2-aminobenzene-1,4-disulfonic acid; 4-amino-2,5-dichloro-benzenesulfonic acid CAS Name: 2-aminobenzene-1,4-disulfonic acid; 4-amino-2,5-dichlorobenzenesulfonic acid IUPAC Name: 2-aminobenzene-1,4-disulfonic acid; 4-amino-2,5-dichlorobenzenesulfonic acid Traditional Name: 2-aminobenzene-1,4-disulfonic acid; 4-amino-2,5-dichloro-besylic acid Formula: C12H12Cl2N2O9S3 MolecularWeight: 495.33268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)N)S(=O)(=O)O.C1=C(C(=CC(=C1Cl)S(=O)(=O)O)Cl)N

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)N)S(=O)(=O)O.C1=C(C(=CC(=C1Cl)S(=O)(=O)O)Cl)N

InChI

InChI=1S/C6H5Cl2NO3S.C6H7NO6S2/c7-3-2-6(13(10,11)12)4(8)1-5(3)9;7-5-3-4(14(8,9)10)1-2-6(5)15(11,12)13/h1-2H,9H2,(H,10,11,12);1-3H,7H2,(H,8,9,10)(H,11,12,13)