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

Systemtic Name: docosyl [6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] sulfate Openeye Name: docosyl [3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] sulfate CAS Name: sulfuric acid docosyl [3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: docosyl [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] sulfate Traditional Name: sulfuric acid behenyl (3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl) ester Formula: C28H56O9S MolecularWeight: 568.80384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H56O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-35-38(33,34)37-28-27(32)26(31)25(30)24(23-29)36-28/h24-32H,2-23H2,1H3