(1S,4S,5S,8S)-4,8-bis(4-tert-butylphenyl)bicyclo[3.3.1]nonane-2,6-dione

Systemtic Name: (1S,4S,5S,8S)-4,8-bis(4-tert-butylphenyl)bicyclo[3.3.1]nonane-2,6-dione Openeye Name: (1S,4S,5S,8S)-4,8-bis(4-tert-butylphenyl)bicyclo[3.3.1]nonane-2,6-dione CAS Name: (1S,4S,5S,8S)-4,8-bis(4-tert-butylphenyl)bicyclo[3.3.1]nonane-2,6-dione IUPAC Name: (1S,4S,5S,8S)-4,8-bis(4-tert-butylphenyl)bicyclo[3.3.1]nonane-2,6-dione Traditional Name: (1S,4S,5S,8S)-4,8-bis(4-tert-butylphenyl)bicyclo[3.3.1]nonane-2,6-quinone Formula: C29H36O2 MolecularWeight: 416.59494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2CC(=O)C3CC2C(=O)CC3C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H]2CC(=O)[C@H]3C[C@@H]2C(=O)C[C@@H]3C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H36O2/c1-28(2,3)20-11-7-18(8-12-20)22-16-26(30)25-15-24(22)27(31)17-23(25)19-9-13-21(14-10-19)29(4,5)6/h7-14,22-25H,15-17H2,1-6H3/t22-,23-,24+,25+/m1/s1