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

Systemtic Name: methyl 8-[(2S,3S,4S,6R)-4-chloranyl-2,6-dihexyl-oxan-3-yl]octanoate Openeye Name: methyl 8-[(2S,3S,4S,6R)-4-chloro-2,6-dihexyl-tetrahydropyran-3-yl]octanoate CAS Name: 8-[(2S,3S,4S,6R)-4-chloro-2,6-dihexyl-3-oxanyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(2S,3S,4S,6R)-4-chloro-2,6-dihexyloxan-3-yl]octanoate Traditional Name: 8-[(2S,3S,4S,6R)-4-chloro-2,6-dihexyl-tetrahydropyran-3-yl]caprylic acid methyl ester Formula: C26H49ClO3 MolecularWeight: 445.11846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H49ClO3/c1-4-6-8-13-17-22-21-24(27)23(25(30-22)19-15-9-7-5-2)18-14-11-10-12-16-20-26(28)29-3/h22-25H,4-21H2,1-3H3/t22-,23-,24+,25+/m1/s1