hexyl 3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-benzoate

Systemtic Name: hexyl 3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-benzoate Openeye Name: hexyl 2-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoate CAS Name: 2-hydroxy-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]benzoic acid hexyl ester IUPAC Name: hexyl 2-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate Traditional Name: 2-hydroxy-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-benzoic acid hexyl ester Formula: C19H28O9 MolecularWeight: 400.42022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(C(=CC=C1)OC2C(C(C(C(O2)CO)O)O)O)O

Isomeric SMILES

CCCCCCOC(=O)C1=C(C(=CC=C1)OC2C(C(C(C(O2)CO)O)O)O)O

InChI

InChI=1S/C19H28O9/c1-2-3-4-5-9-26-18(25)11-7-6-8-12(14(11)21)27-19-17(24)16(23)15(22)13(10-20)28-19/h6-8,13,15-17,19-24H,2-5,9-10H2,1H3