(1S,5S)-5,7-ditert-butyl-2-phenyl-bicyclo[3.2.1]octa-2,6-diene-4,8-dione

Systemtic Name: (1S,5S)-5,7-ditert-butyl-2-phenyl-bicyclo[3.2.1]octa-2,6-diene-4,8-dione Openeye Name: (1S,5S)-5,7-ditert-butyl-2-phenyl-bicyclo[3.2.1]octa-2,6-diene-4,8-dione CAS Name: (1S,5S)-5,7-ditert-butyl-2-phenylbicyclo[3.2.1]octa-2,6-diene-4,8-dione IUPAC Name: (1S,5S)-5,7-ditert-butyl-2-phenylbicyclo[3.2.1]octa-2,6-diene-4,8-dione Traditional Name: (1S,5S)-5,7-ditert-butyl-2-phenyl-bicyclo[3.2.1]octa-2,6-diene-4,8-quinone Formula: C22H26O2 MolecularWeight: 322.44064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2(C(=O)C=C(C1C2=O)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C[C@@]2(C(=O)C=C([C@H]1C2=O)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C22H26O2/c1-20(2,3)16-13-22(21(4,5)6)17(23)12-15(18(16)19(22)24)14-10-8-7-9-11-14/h7-13,18H,1-6H3/t18-,22+/m1/s1