(6-hexyl-2-oxidanylidene-oxan-3-yl) 3-cyano-2-octan-4-yloxy-benzoate

Systemtic Name: (6-hexyl-2-oxidanylidene-oxan-3-yl) 3-cyano-2-octan-4-yloxy-benzoate Openeye Name: (6-hexyl-2-oxo-tetrahydropyran-3-yl) 3-cyano-2-(1-propylpentoxy)benzoate CAS Name: 3-cyano-2-octan-4-yloxybenzoic acid (6-hexyl-2-oxo-3-oxanyl) ester IUPAC Name: (6-hexyl-2-oxooxan-3-yl) 3-cyano-2-octan-4-yloxybenzoate Traditional Name: 3-cyano-2-(1-propylpentoxy)benzoic acid (6-hexyl-2-keto-tetrahydropyran-3-yl) ester Formula: C27H39NO5 MolecularWeight: 457.60226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(C(=O)O1)OC(=O)C2=CC=CC(=C2OC(CCC)CCCC)C#N

Isomeric SMILES

CCCCCCC1CCC(C(=O)O1)OC(=O)C2=CC=CC(=C2OC(CCC)CCCC)C#N

InChI

InChI=1S/C27H39NO5/c1-4-7-9-10-15-22-17-18-24(27(30)32-22)33-26(29)23-16-11-13-20(19-28)25(23)31-21(12-6-3)14-8-5-2/h11,13,16,21-22,24H,4-10,12,14-15,17-18H2,1-3H3