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

Systemtic Name: methyl 8-[(2S,3R,4S,6R)-4-chloranyl-6-hexyl-2-propan-2-yl-oxan-3-yl]octanoate Openeye Name: methyl 8-[(2S,3R,4S,6R)-4-chloro-6-hexyl-2-isopropyl-tetrahydropyran-3-yl]octanoate CAS Name: 8-[(2S,3R,4S,6R)-4-chloro-6-hexyl-2-propan-2-yl-3-oxanyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(2S,3R,4S,6R)-4-chloro-6-hexyl-2-propan-2-yloxan-3-yl]octanoate Traditional Name: 8-[(2S,3R,4S,6R)-4-chloro-6-hexyl-2-isopropyl-tetrahydropyran-3-yl]caprylic acid methyl ester Formula: C23H43ClO3 MolecularWeight: 403.03872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H43ClO3/c1-5-6-7-11-14-19-17-21(24)20(23(27-19)18(2)3)15-12-9-8-10-13-16-22(25)26-4/h18-21,23H,5-17H2,1-4H3/t19-,20+,21+,23+/m1/s1