4-[[4-azanyl-2,5-bis(chloranyl)phenyl]sulfonylamino]benzenesulfonic acid; methane

Systemtic Name: 4-[[4-azanyl-2,5-bis(chloranyl)phenyl]sulfonylamino]benzenesulfonic acid; methane Openeye Name: 4-[(4-amino-2,5-dichloro-phenyl)sulfonylamino]benzenesulfonic acid; methane CAS Name: 4-[(4-amino-2,5-dichlorophenyl)sulfonylamino]benzenesulfonic acid; methane IUPAC Name: 4-[(4-amino-2,5-dichlorophenyl)sulfonylamino]benzenesulfonic acid; methane Traditional Name: 4-[(4-amino-2,5-dichloro-phenyl)sulfonylamino]besylic acid; methane Formula: C13H14Cl2N2O5S2 MolecularWeight: 413.29666

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Descriptors Computed from Structure

Canonical SMILES:

C.C1=CC(=CC=C1NS(=O)(=O)C2=C(C=C(C(=C2)Cl)N)Cl)S(=O)(=O)O

Isomeric SMILES

C.C1=CC(=CC=C1NS(=O)(=O)C2=C(C=C(C(=C2)Cl)N)Cl)S(=O)(=O)O

InChI

InChI=1S/C12H10Cl2N2O5S2.CH4/c13-9-6-12(10(14)5-11(9)15)22(17,18)16-7-1-3-8(4-2-7)23(19,20)21;/h1-6,16H,15H2,(H,19,20,21);1H4