methyl 8-[(2R,3S,4S,6R)-2-tert-butyl-4-chloranyl-6-hexyl-oxan-3-yl]octanoate

Systemtic Name: methyl 8-[(2R,3S,4S,6R)-2-tert-butyl-4-chloranyl-6-hexyl-oxan-3-yl]octanoate Openeye Name: methyl 8-[(2R,3S,4S,6R)-2-tert-butyl-4-chloro-6-hexyl-tetrahydropyran-3-yl]octanoate CAS Name: 8-[(2R,3S,4S,6R)-2-tert-butyl-4-chloro-6-hexyl-3-oxanyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(2R,3S,4S,6R)-2-tert-butyl-4-chloro-6-hexyloxan-3-yl]octanoate Traditional Name: 8-[(2R,3S,4S,6R)-2-tert-butyl-4-chloro-6-hexyl-tetrahydropyran-3-yl]caprylic acid methyl ester Formula: C24H45ClO3 MolecularWeight: 417.0653

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(C(C(O1)C(C)(C)C)CCCCCCCC(=O)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H45ClO3/c1-6-7-8-12-15-19-18-21(25)20(23(28-19)24(2,3)4)16-13-10-9-11-14-17-22(26)27-5/h19-21,23H,6-18H2,1-5H3/t19-,20-,21+,23-/m1/s1