(1S,4R,5R,6S)-4-methyl-5,6-bis(phenylmethoxymethyl)bicyclo[2.2.2]oct-7-en-2-one

Systemtic Name: (1S,4R,5R,6S)-4-methyl-5,6-bis(phenylmethoxymethyl)bicyclo[2.2.2]oct-7-en-2-one Openeye Name: (1S,4R,5R,6S)-5,6-bis(benzyloxymethyl)-4-methyl-bicyclo[2.2.2]oct-7-en-2-one CAS Name: (1S,4R,5R,6S)-4-methyl-5,6-bis(phenylmethoxymethyl)-2-bicyclo[2.2.2]oct-7-enone IUPAC Name: (1S,4R,5R,6S)-4-methyl-5,6-bis(phenylmethoxymethyl)bicyclo[2.2.2]oct-7-en-2-one Traditional Name: (1S,4R,5R,6S)-5,6-bis(benzoxymethyl)-4-methyl-bicyclo[2.2.2]oct-7-en-2-one Formula: C25H28O3 MolecularWeight: 376.48802

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=O)C(C=C1)C(C2COCC3=CC=CC=C3)COCC4=CC=CC=C4

Isomeric SMILES

C[C@@]12CC(=O)[C@@H](C=C1)[C@H]([C@H]2COCC3=CC=CC=C3)COCC4=CC=CC=C4

InChI

InChI=1S/C25H28O3/c1-25-13-12-21(24(26)14-25)22(17-27-15-19-8-4-2-5-9-19)23(25)18-28-16-20-10-6-3-7-11-20/h2-13,21-23H,14-18H2,1H3/t21-,22+,23+,25-/m0/s1