heptyl [6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] sulfate

Systemtic Name: heptyl [6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] sulfate Openeye Name: heptyl [3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] sulfate CAS Name: sulfuric acid heptyl [3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: heptyl [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] sulfate Traditional Name: sulfuric acid heptyl (3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl) ester Formula: C13H26O9S MolecularWeight: 358.40514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOS(=O)(=O)OC1C(C(C(C(O1)CO)O)O)O

Isomeric SMILES

CCCCCCCOS(=O)(=O)OC1C(C(C(C(O1)CO)O)O)O

InChI

InChI=1S/C13H26O9S/c1-2-3-4-5-6-7-20-23(18,19)22-13-12(17)11(16)10(15)9(8-14)21-13/h9-17H,2-8H2,1H3