methyl 8-[(2R,3S,4S,6R)-6-hexyl-4-oxidanyl-2-phenyl-oxan-3-yl]octanoate

Systemtic Name: methyl 8-[(2R,3S,4S,6R)-6-hexyl-4-oxidanyl-2-phenyl-oxan-3-yl]octanoate Openeye Name: methyl 8-[(2R,3S,4S,6R)-6-hexyl-4-hydroxy-2-phenyl-tetrahydropyran-3-yl]octanoate CAS Name: 8-[(2R,3S,4S,6R)-6-hexyl-4-hydroxy-2-phenyl-3-oxanyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(2R,3S,4S,6R)-6-hexyl-4-hydroxy-2-phenyloxan-3-yl]octanoate Traditional Name: 8-[(2R,3S,4S,6R)-6-hexyl-4-hydroxy-2-phenyl-tetrahydropyran-3-yl]caprylic acid methyl ester Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(C(C(O1)C2=CC=CC=C2)CCCCCCCC(=O)OC)O

Isomeric SMILES

CCCCCC[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C2=CC=CC=C2)CCCCCCCC(=O)OC)O

InChI

InChI=1S/C26H42O4/c1-3-4-5-12-17-22-20-24(27)23(26(30-22)21-15-10-9-11-16-21)18-13-7-6-8-14-19-25(28)29-2/h9-11,15-16,22-24,26-27H,3-8,12-14,17-20H2,1-2H3/t22-,23+,24+,26+/m1/s1