methyl 8-[(3R,4S,5R)-4-chloranyl-5-heptyl-oxan-3-yl]octanoate

Systemtic Name: methyl 8-[(3R,4S,5R)-4-chloranyl-5-heptyl-oxan-3-yl]octanoate Openeye Name: methyl 8-[(3R,4S,5R)-4-chloro-5-heptyl-tetrahydropyran-3-yl]octanoate CAS Name: 8-[(3R,4S,5R)-4-chloro-5-heptyl-3-oxanyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(3R,4S,5R)-4-chloro-5-heptyloxan-3-yl]octanoate Traditional Name: 8-[(3R,4S,5R)-4-chloro-5-heptyl-tetrahydropyran-3-yl]caprylic acid methyl ester Formula: C21H39ClO3 MolecularWeight: 374.98556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COCC(C1Cl)CCCCCCCC(=O)OC

Isomeric SMILES

CCCCCCC[C@@H]1COC[C@H]([C@H]1Cl)CCCCCCCC(=O)OC

InChI

InChI=1S/C21H39ClO3/c1-3-4-5-7-10-13-18-16-25-17-19(21(18)22)14-11-8-6-9-12-15-20(23)24-2/h18-19,21H,3-17H2,1-2H3/t18-,19-,21+/m1/s1