(4,7,7-trimethyl-2-oxidanyl-8-oxabicyclo[3.2.1]oct-3-en-5-yl) benzoate

Systemtic Name: (4,7,7-trimethyl-2-oxidanyl-8-oxabicyclo[3.2.1]oct-3-en-5-yl) benzoate Openeye Name: (2-hydroxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-5-yl) benzoate CAS Name: benzoic acid (2-hydroxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-5-yl) ester IUPAC Name: (2-hydroxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-5-yl) benzoate Traditional Name: benzoic acid (2-hydroxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-5-yl) ester Formula: C17H20O4 MolecularWeight: 288.3383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C2C(CC1(O2)OC(=O)C3=CC=CC=C3)(C)C)O

Isomeric SMILES

CC1=CC(C2C(CC1(O2)OC(=O)C3=CC=CC=C3)(C)C)O

InChI

InChI=1S/C17H20O4/c1-11-9-13(18)14-16(2,3)10-17(11,20-14)21-15(19)12-7-5-4-6-8-12/h4-9,13-14,18H,10H2,1-3H3