2-azanyl-2-(hydroxymethyl)propane-1,3-diol; 5-hexyl-7-(methylsulfonimidoyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 2-azanyl-2-(hydroxymethyl)propane-1,3-diol; 5-hexyl-7-(methylsulfonimidoyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 5-hexyl-7-(methylsulfonimidoyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 5-hexyl-7-(methylsulfonimidoyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 2-amino-2-methylol-propane-1,3-diol; 5-hexyl-9-keto-7-(methylsulfonimidoyl)xanthene-2-carboxylic acid Formula: C25H34N2O8S MolecularWeight: 522.61106

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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)N)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)N)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