5-hexyl-7-(methylsulfonimidoyl)-9-oxidanylidene-xanthene-2-carboxylate; [2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]azanium

Systemtic Name: 5-hexyl-7-(methylsulfonimidoyl)-9-oxidanylidene-xanthene-2-carboxylate; [2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]azanium Openeye Name: 5-hexyl-7-(methylsulfonimidoyl)-9-oxo-xanthene-2-carboxylate; [2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonium CAS Name: [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]ammonium; 5-hexyl-7-(methylsulfonimidoyl)-9-oxo-2-xanthenecarboxylate IUPAC Name: [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium; 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylate Traditional Name: 5-hexyl-9-keto-7-(methylsulfonimidoyl)xanthene-2-carboxylate; (2-hydroxy-1,1-dimethylol-ethyl)ammonium Formula: C25H34N2O8S MolecularWeight: 522.61106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C(=CC(=C1)S(=N)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-].C(C(CO)(CO)[NH3+])O

Isomeric SMILES

CCCCCCC1=C2C(=CC(=C1)S(=N)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)[O-].C(C(CO)(CO)[NH3+])O

InChI

InChI=1S/C21H23NO5S.C4H11NO3/c1-3-4-5-6-7-13-10-15(28(2,22)26)12-17-19(23)16-11-14(21(24)25)8-9-18(16)27-20(13)17;5-4(1-6,2-7)3-8/h8-12,22H,3-7H2,1-2H3,(H,24,25);6-8H,1-3,5H2