4-[[4-azanyl-3,5-bis(iodanyl)phenyl]sulfonylamino]benzenesulfonic acid; sodium

Systemtic Name: 4-[[4-azanyl-3,5-bis(iodanyl)phenyl]sulfonylamino]benzenesulfonic acid; sodium Openeye Name: 4-[(4-amino-3,5-diiodo-phenyl)sulfonylamino]benzenesulfonic acid; sodium CAS Name: 4-[(4-amino-3,5-diiodophenyl)sulfonylamino]benzenesulfonic acid; sodium IUPAC Name: 4-[(4-amino-3,5-diiodophenyl)sulfonylamino]benzenesulfonic acid; sodium Traditional Name: 4-[(4-amino-3,5-diiodo-phenyl)sulfonylamino]besylic acid; sodium Formula: C12H10I2N2Na2O5S2 MolecularWeight: 626.13668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C(=C2)I)N)I)S(=O)(=O)O.[Na].[Na]

Isomeric SMILES

C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C(=C2)I)N)I)S(=O)(=O)O.[Na].[Na]

InChI

InChI=1S/C12H10I2N2O5S2.2Na/c13-10-5-9(6-11(14)12(10)15)22(17,18)16-7-1-3-8(4-2-7)23(19,20)21;;/h1-6,16H,15H2,(H,19,20,21);;