[5-acetamido-2,3,4-tris(oxidanyl)-6-oxidanylidene-hexyl] (4-methyl-2-oxidanylidene-chromen-7-yl) sulfate

Systemtic Name: [5-acetamido-2,3,4-tris(oxidanyl)-6-oxidanylidene-hexyl] (4-methyl-2-oxidanylidene-chromen-7-yl) sulfate Openeye Name: (5-acetamido-2,3,4-trihydroxy-6-oxo-hexyl) (4-methyl-2-oxo-chromen-7-yl) sulfate CAS Name: sulfuric acid (5-acetamido-2,3,4-trihydroxy-6-oxohexyl) (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (5-acetamido-2,3,4-trihydroxy-6-oxohexyl) (4-methyl-2-oxochromen-7-yl) sulfate Traditional Name: sulfuric acid (5-acetamido-2,3,4-trihydroxy-6-keto-hexyl) (2-keto-4-methyl-chromen-7-yl) ester Formula: C18H21NO11S MolecularWeight: 459.42444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)OCC(C(C(C(C=O)NC(=O)C)O)O)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)OCC(C(C(C(C=O)NC(=O)C)O)O)O

InChI

InChI=1S/C18H21NO11S/c1-9-5-16(23)29-15-6-11(3-4-12(9)15)30-31(26,27)28-8-14(22)18(25)17(24)13(7-20)19-10(2)21/h3-7,13-14,17-18,22,24-25H,8H2,1-2H3,(H,19,21)