(1S,3Z,4R)-2,2,4-trimethyl-3-phenethylidene-bicyclo[2.2.1]heptan-7-one

Systemtic Name: (1S,3Z,4R)-2,2,4-trimethyl-3-phenethylidene-bicyclo[2.2.1]heptan-7-one Openeye Name: (1R,2Z,4S)-1,3,3-trimethyl-2-phenethylidene-norbornan-7-one CAS Name: (1S,3Z,4R)-2,2,4-trimethyl-3-phenethylidene-7-bicyclo[2.2.1]heptanone IUPAC Name: (1S,3Z,4R)-2,2,4-trimethyl-3-phenethylidenebicyclo[2.2.1]heptan-7-one Traditional Name: (1R,2Z,4S)-1,3,3-trimethyl-2-phenethylidene-norbornan-7-one Formula: C18H22O MolecularWeight: 254.36668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(C1=CCC3=CC=CC=C3)(C2=O)C)C

Isomeric SMILES

C[C@]1\2CC[C@H](C1=O)C(/C2=C/CC3=CC=CC=C3)(C)C

InChI

InChI=1S/C18H22O/c1-17(2)14-11-12-18(3,16(14)19)15(17)10-9-13-7-5-4-6-8-13/h4-8,10,14H,9,11-12H2,1-3H3/b15-10-/t14-,18-/m1/s1