[3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl 5-octanoyl-2-oxidanyl-benzoate

Systemtic Name: [3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl 5-octanoyl-2-oxidanyl-benzoate Openeye Name: (3,4,5,6-tetrahydroxytetrahydropyran-2-yl)methyl 2-hydroxy-5-octanoyl-benzoate CAS Name: 2-hydroxy-5-(1-oxooctyl)benzoic acid (3,4,5,6-tetrahydroxy-2-oxanyl)methyl ester IUPAC Name: (3,4,5,6-tetrahydroxyoxan-2-yl)methyl 2-hydroxy-5-octanoylbenzoate Traditional Name: 5-caprylyl-2-hydroxy-benzoic acid (3,4,5,6-tetrahydroxytetrahydropyran-2-yl)methyl ester Formula: C21H30O9 MolecularWeight: 426.4575

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)OCC2C(C(C(C(O2)O)O)O)O

Isomeric SMILES

CCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)OCC2C(C(C(C(O2)O)O)O)O

InChI

InChI=1S/C21H30O9/c1-2-3-4-5-6-7-14(22)12-8-9-15(23)13(10-12)20(27)29-11-16-17(24)18(25)19(26)21(28)30-16/h8-10,16-19,21,23-26,28H,2-7,11H2,1H3