[(2E)-7-methylocta-2,6-dienyl] 2-methanoyl-3-methyl-benzoate

Systemtic Name: [(2E)-7-methylocta-2,6-dienyl] 2-methanoyl-3-methyl-benzoate Openeye Name: [(2E)-7-methylocta-2,6-dienyl] 2-formyl-3-methyl-benzoate CAS Name: 2-formyl-3-methylbenzoic acid [(2E)-7-methylocta-2,6-dienyl] ester IUPAC Name: [(2E)-7-methylocta-2,6-dienyl] 2-formyl-3-methylbenzoate Traditional Name: 2-formyl-3-methyl-benzoic acid [(2E)-7-methylocta-2,6-dienyl] ester Formula: C18H22O3 MolecularWeight: 286.36548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C=O)C(=O)OCC=CCCC=C(C)C

Isomeric SMILES

CC1=CC=CC(=C1C=O)C(=O)OC/C=C/CCC=C(C)C

InChI

InChI=1S/C18H22O3/c1-14(2)9-6-4-5-7-12-21-18(20)16-11-8-10-15(3)17(16)13-19/h5,7-11,13H,4,6,12H2,1-3H3/b7-5+