[(1S,5S)-2,4,4-trimethyl-5-prop-1-en-2-yl-3-prop-2-enyl-cyclohex-2-en-1-yl] benzoate

Systemtic Name: [(1S,5S)-2,4,4-trimethyl-5-prop-1-en-2-yl-3-prop-2-enyl-cyclohex-2-en-1-yl] benzoate Openeye Name: [(1S,5S)-3-allyl-5-isopropenyl-2,4,4-trimethyl-cyclohex-2-en-1-yl] benzoate CAS Name: benzoic acid [(1S,5S)-2,4,4-trimethyl-5-(1-methylethenyl)-3-prop-2-enyl-1-cyclohex-2-enyl] ester IUPAC Name: [(1S,5S)-2,4,4-trimethyl-5-prop-1-en-2-yl-3-prop-2-enylcyclohex-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1S,5S)-3-allyl-5-isopropenyl-2,4,4-trimethyl-cyclohex-2-en-1-yl] ester Formula: C22H28O2 MolecularWeight: 324.45652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(CC1OC(=O)C2=CC=CC=C2)C(=C)C)(C)C)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H28O2/c1-7-11-18-16(4)20(14-19(15(2)3)22(18,5)6)24-21(23)17-12-9-8-10-13-17/h7-10,12-13,19-20H,1-2,11,14H2,3-6H3/t19-,20-/m0/s1