4-azanyl-3,5-bis(chloranyl)benzenesulfonic acid; 3-azanyl-2,4-dimethyl-benzenesulfonic acid

Systemtic Name: 4-azanyl-3,5-bis(chloranyl)benzenesulfonic acid; 3-azanyl-2,4-dimethyl-benzenesulfonic acid Openeye Name: 4-amino-3,5-dichloro-benzenesulfonic acid; 3-amino-2,4-dimethyl-benzenesulfonic acid CAS Name: 4-amino-3,5-dichlorobenzenesulfonic acid; 3-amino-2,4-dimethylbenzenesulfonic acid IUPAC Name: 4-amino-3,5-dichlorobenzenesulfonic acid; 3-amino-2,4-dimethylbenzenesulfonic acid Traditional Name: 4-amino-3,5-dichloro-besylic acid; 3-amino-2,4-dimethyl-besylic acid Formula: C14H16Cl2N2O6S2 MolecularWeight: 443.32264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO3S.C6H5Cl2NO3S/c1-5-3-4-7(13(10,11)12)6(2)8(5)9;7-4-1-3(13(10,11)12)2-5(8)6(4)9/h3-4H,9H2,1-2H3,(H,10,11,12);1-2H,9H2,(H,10,11,12)