[(1S,2R,5S,6R,8S)-2-ethenyl-2,5,6-trimethyl-9-methylidene-8-bicyclo[3.3.1]nonanyl] 4-methylbenzoate

Systemtic Name: [(1S,2R,5S,6R,8S)-2-ethenyl-2,5,6-trimethyl-9-methylidene-8-bicyclo[3.3.1]nonanyl] 4-methylbenzoate Openeye Name: [(1S,2R,5S,6R,8S)-2,5,6-trimethyl-9-methylene-2-vinyl-8-bicyclo[3.3.1]nonanyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(1S,2R,5S,6R,8S)-2-ethenyl-2,5,6-trimethyl-9-methylene-8-bicyclo[3.3.1]nonanyl] ester IUPAC Name: [(1S,2R,5S,6R,8S)-2-ethenyl-2,5,6-trimethyl-9-methylidene-8-bicyclo[3.3.1]nonanyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(1S,2R,5S,6R,8S)-2,5,6-trimethyl-9-methylene-2-vinyl-8-bicyclo[3.3.1]nonanyl] ester Formula: C23H30O2 MolecularWeight: 338.4831

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2C(=C)C1(CCC2(C)C=C)C)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30O2/c1-7-22(5)12-13-23(6)16(3)14-19(20(22)17(23)4)25-21(24)18-10-8-15(2)9-11-18/h7-11,16,19-20H,1,4,12-14H2,2-3,5-6H3/t16-,19+,20+,22+,23+/m1/s1