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

Systemtic Name: 2-methylbutan-2-yl 2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-benzoate Openeye Name: 1,1-dimethylpropyl 5-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoate CAS Name: 5-hydroxy-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]benzoic acid 2-methylbutan-2-yl ester IUPAC Name: 2-methylbutan-2-yl 5-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate Traditional Name: 5-hydroxy-2-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-benzoic acid tert-amyl ester Formula: C18H26O9 MolecularWeight: 386.39364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC(=O)C1=C(C=CC(=C1)O)OC2C(C(C(C(O2)CO)O)O)O

Isomeric SMILES

CCC(C)(C)OC(=O)C1=C(C=CC(=C1)O)OC2C(C(C(C(O2)CO)O)O)O

InChI

InChI=1S/C18H26O9/c1-4-18(2,3)27-16(24)10-7-9(20)5-6-11(10)25-17-15(23)14(22)13(21)12(8-19)26-17/h5-7,12-15,17,19-23H,4,8H2,1-3H3