trisodium [[4-[4-(sulfinatomethylamino)phenyl]sulfonylphenyl]amino]methanesulfinate

Systemtic Name: trisodium [[4-[4-(sulfinatomethylamino)phenyl]sulfonylphenyl]amino]methanesulfinate Openeye Name: trisodium [4-[4-(sulfinatomethylamino)phenyl]sulfonylanilino]methanesulfinate CAS Name: trisodium [4-[4-(sulfinatomethylamino)phenyl]sulfonylanilino]methanesulfinate IUPAC Name: trisodium [4-[4-(sulfinatomethylamino)phenyl]sulfonylanilino]methanesulfinate Traditional Name: trisodium [4-[4-(sulfinatomethylamino)phenyl]sulfonylanilino]methanesulfinate Formula: C14H14N2Na3O6S3+ MolecularWeight: 471.43507

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCS(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)NCS(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NCS(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)NCS(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C14H16N2O6S3.3Na/c17-23(18)9-15-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)16-10-24(19)20;;;/h1-8,15-16H,9-10H2,(H,17,18)(H,19,20);;;/q;3*+1/p-2