[(4E,7E)-3,3,7-trimethyl-11-methylidene-cycloundeca-4,7-dien-1-yl] benzoate

Systemtic Name: [(4E,7E)-3,3,7-trimethyl-11-methylidene-cycloundeca-4,7-dien-1-yl] benzoate Openeye Name: [(4E,7E)-3,3,7-trimethyl-11-methylene-cycloundeca-4,7-dien-1-yl] benzoate CAS Name: benzoic acid [(4E,7E)-3,3,7-trimethyl-11-methylene-1-cycloundeca-4,7-dienyl] ester IUPAC Name: [(4E,7E)-3,3,7-trimethyl-11-methylidenecycloundeca-4,7-dien-1-yl] benzoate Traditional Name: benzoic acid [(4E,7E)-3,3,7-trimethyl-11-methylene-cycloundeca-4,7-dien-1-yl] ester Formula: C22H28O2 MolecularWeight: 324.45652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C/1=C\CCC(=C)C(CC(/C=C/C1)(C)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H28O2/c1-17-10-8-12-18(2)20(16-22(3,4)15-9-11-17)24-21(23)19-13-6-5-7-14-19/h5-7,9-10,13-15,20H,2,8,11-12,16H2,1,3-4H3/b15-9+,17-10+