(6-hexyl-2-oxidanylidene-oxan-3-yl) 4-(2-methylheptoxy)benzoate

Systemtic Name: (6-hexyl-2-oxidanylidene-oxan-3-yl) 4-(2-methylheptoxy)benzoate Openeye Name: (6-hexyl-2-oxo-tetrahydropyran-3-yl) 4-(2-methylheptoxy)benzoate CAS Name: 4-(2-methylheptoxy)benzoic acid (6-hexyl-2-oxo-3-oxanyl) ester IUPAC Name: (6-hexyl-2-oxooxan-3-yl) 4-(2-methylheptoxy)benzoate Traditional Name: 4-(2-methylheptoxy)benzoic acid (6-hexyl-2-keto-tetrahydropyran-3-yl) ester Formula: C26H40O5 MolecularWeight: 432.5928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(C(=O)O1)OC(=O)C2=CC=C(C=C2)OCC(C)CCCCC

Isomeric SMILES

CCCCCCC1CCC(C(=O)O1)OC(=O)C2=CC=C(C=C2)OCC(C)CCCCC

InChI

InChI=1S/C26H40O5/c1-4-6-8-10-12-23-17-18-24(26(28)30-23)31-25(27)21-13-15-22(16-14-21)29-19-20(3)11-9-7-5-2/h13-16,20,23-24H,4-12,17-19H2,1-3H3