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

Systemtic Name: propyl 3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C16H22O9 MolecularWeight: 358.34048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O9/c1-2-6-23-15(22)8-4-3-5-9(11(8)18)24-16-14(21)13(20)12(19)10(7-17)25-16/h3-5,10,12-14,16-21H,2,6-7H2,1H3