6-[2-[(3R,5R,6R)-3,5,6-trimethyl-7-oxabicyclo[4.1.0]heptan-4-yl]ethyl]naphthalene-1,4-dione

Systemtic Name: 6-[2-[(3R,5R,6R)-3,5,6-trimethyl-7-oxabicyclo[4.1.0]heptan-4-yl]ethyl]naphthalene-1,4-dione Openeye Name: 6-[2-[(3R,5R,6R)-3,5,6-trimethyl-7-oxabicyclo[4.1.0]heptan-4-yl]ethyl]naphthalene-1,4-dione CAS Name: 6-[2-[(3R,5R,6R)-3,5,6-trimethyl-7-oxabicyclo[4.1.0]heptan-4-yl]ethyl]naphthalene-1,4-dione IUPAC Name: 6-[2-[(3R,5R,6R)-3,5,6-trimethyl-7-oxabicyclo[4.1.0]heptan-4-yl]ethyl]naphthalene-1,4-dione Traditional Name: 6-[2-[(3R,5R,6R)-3,5,6-trimethyl-7-oxabicyclo[4.1.0]heptan-4-yl]ethyl]-1,4-naphthoquinone Formula: C21H24O3 MolecularWeight: 324.41346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C(O2)(C(C1CCC3=CC4=C(C=C3)C(=O)C=CC4=O)C)C

Isomeric SMILES

C[C@@H]1CC2[C@](O2)([C@@H](C1CCC3=CC4=C(C=C3)C(=O)C=CC4=O)C)C

InChI

InChI=1S/C21H24O3/c1-12-10-20-21(3,24-20)13(2)15(12)6-4-14-5-7-16-17(11-14)19(23)9-8-18(16)22/h5,7-9,11-13,15,20H,4,6,10H2,1-3H3/t12-,13-,15?,20?,21-/m1/s1