[3,4,5-tris(oxidanyl)-6-phenoxy-oxan-2-yl]methyl octanoate

Systemtic Name: [3,4,5-tris(oxidanyl)-6-phenoxy-oxan-2-yl]methyl octanoate Openeye Name: (3,4,5-trihydroxy-6-phenoxy-tetrahydropyran-2-yl)methyl octanoate CAS Name: octanoic acid (3,4,5-trihydroxy-6-phenoxy-2-oxanyl)methyl ester IUPAC Name: (3,4,5-trihydroxy-6-phenoxyoxan-2-yl)methyl octanoate Traditional Name: caprylic acid (3,4,5-trihydroxy-6-phenoxy-tetrahydropyran-2-yl)methyl ester Formula: C20H30O7 MolecularWeight: 382.448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1C(C(C(C(O1)OC2=CC=CC=C2)O)O)O

Isomeric SMILES

CCCCCCCC(=O)OCC1C(C(C(C(O1)OC2=CC=CC=C2)O)O)O

InChI

InChI=1S/C20H30O7/c1-2-3-4-5-9-12-16(21)25-13-15-17(22)18(23)19(24)20(27-15)26-14-10-7-6-8-11-14/h6-8,10-11,15,17-20,22-24H,2-5,9,12-13H2,1H3