(2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-yl) benzoate

Systemtic Name: (2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-yl) benzoate Openeye Name: (2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-yl) benzoate CAS Name: benzoic acid (2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-yl) ester IUPAC Name: (2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-yl) benzoate Traditional Name: benzoic acid (2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-yl) ester Formula: C17H22O3 MolecularWeight: 274.35478

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(O1)(C(C2)OC(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1(C2CCC(O1)(C(C2)OC(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C17H22O3/c1-16(2)13-9-10-17(3,20-16)14(11-13)19-15(18)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3