[(3R,6R)-6-hexyl-2-oxidanylidene-oxan-3-yl] 3-cyano-4-octoxy-benzoate

Systemtic Name: [(3R,6R)-6-hexyl-2-oxidanylidene-oxan-3-yl] 3-cyano-4-octoxy-benzoate Openeye Name: [(3R,6R)-6-hexyl-2-oxo-tetrahydropyran-3-yl] 3-cyano-4-octoxy-benzoate CAS Name: 3-cyano-4-octoxybenzoic acid [(3R,6R)-6-hexyl-2-oxo-3-oxanyl] ester IUPAC Name: [(3R,6R)-6-hexyl-2-oxooxan-3-yl] 3-cyano-4-octoxybenzoate Traditional Name: 3-cyano-4-octoxy-benzoic acid [(3R,6R)-6-hexyl-2-keto-tetrahydropyran-3-yl] ester Formula: C27H39NO5 MolecularWeight: 457.60226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(OC2=O)CCCCCC)C#N

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)O[C@@H]2CC[C@H](OC2=O)CCCCCC)C#N

InChI

InChI=1S/C27H39NO5/c1-3-5-7-9-10-12-18-31-24-16-14-21(19-22(24)20-28)26(29)33-25-17-15-23(32-27(25)30)13-11-8-6-4-2/h14,16,19,23,25H,3-13,15,17-18H2,1-2H3/t23-,25-/m1/s1