trisodium 2-[(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-[4-oxidanyl-3-(sulfonatomethylamino)phenyl]arsanyl]sulfanylethanoate

Systemtic Name: trisodium 2-[(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-[4-oxidanyl-3-(sulfonatomethylamino)phenyl]arsanyl]sulfanylethanoate Openeye Name: trisodium 2-[[4-hydroxy-3-(sulfonatomethylamino)phenyl]-(2-oxido-2-oxo-ethyl)sulfanyl-arsanyl]sulfanylacetate CAS Name: trisodium 2-[[[4-hydroxy-3-(sulfonatomethylamino)phenyl]-[(2-oxido-2-oxoethyl)thio]arsino]thio]acetate IUPAC Name: trisodium 2-[[4-hydroxy-3-(sulfonatomethylamino)phenyl]-(2-oxido-2-oxoethyl)sulfanylarsanyl]sulfanylacetate Traditional Name: trisodium 2-[[[4-hydroxy-3-(sulfonatomethylamino)phenyl]-[(2-keto-2-oxido-ethyl)thio]arsino]thio]acetate Formula: C11H11AsNNa3O8S3 MolecularWeight: 525.29285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[As](SCC(=O)[O-])SCC(=O)[O-])NCS(=O)(=O)[O-])O.[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1[As](SCC(=O)[O-])SCC(=O)[O-])NCS(=O)(=O)[O-])O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C11H14AsNO8S3.3Na/c14-9-2-1-7(3-8(9)13-6-24(19,20)21)12(22-4-10(15)16)23-5-11(17)18;;;/h1-3,13-14H,4-6H2,(H,15,16)(H,17,18)(H,19,20,21);;;/q;3*+1/p-3