[2-(5-oxidanylpentoxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]methyl benzoate

Systemtic Name: [2-(5-oxidanylpentoxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]methyl benzoate Openeye Name: [2-(5-hydroxypentoxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]methyl benzoate CAS Name: benzoic acid [2-(5-hydroxypentoxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]methyl ester IUPAC Name: [2-(5-hydroxypentoxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]methyl benzoate Traditional Name: benzoic acid [2-(5-hydroxypentoxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]methyl ester Formula: C20H28O5 MolecularWeight: 348.43332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1O2)COCCCCCO)COC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC2C(C(C1O2)COCCCCCO)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H28O5/c21-11-5-2-6-12-23-13-16-17(19-10-9-18(16)25-19)14-24-20(22)15-7-3-1-4-8-15/h1,3-4,7-8,16-19,21H,2,5-6,9-14H2