[(E)-4-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-yl] benzoate

Systemtic Name: [(E)-4-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-yl] benzoate Openeye Name: [(E)-1-methyl-3-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]allyl] benzoate CAS Name: benzoic acid [(E)-4-[(1S)-2,6,6-trimethyl-1-cyclohex-2-enyl]but-3-en-2-yl] ester IUPAC Name: [(E)-4-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-yl] benzoate Traditional Name: benzoic acid [(E)-1-methyl-3-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]allyl] ester Formula: C20H26O2 MolecularWeight: 298.41924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(C1C=CC(C)OC(=O)C2=CC=CC=C2)(C)C

Isomeric SMILES

CC1=CCCC([C@@H]1/C=C/C(C)OC(=O)C2=CC=CC=C2)(C)C

InChI

InChI=1S/C20H26O2/c1-15-9-8-14-20(3,4)18(15)13-12-16(2)22-19(21)17-10-6-5-7-11-17/h5-7,9-13,16,18H,8,14H2,1-4H3/b13-12+/t16?,18-/m1/s1