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

Systemtic Name: 3-methylbutyl 2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-benzoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C18H26O9 MolecularWeight: 386.39364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O9/c1-9(2)5-6-25-17(24)11-7-10(20)3-4-12(11)26-18-16(23)15(22)14(21)13(8-19)27-18/h3-4,7,9,13-16,18-23H,5-6,8H2,1-2H3