2,7-dimethyloct-7-en-5-yn-4-yl 2-methylbenzoate

Systemtic Name: 2,7-dimethyloct-7-en-5-yn-4-yl 2-methylbenzoate Openeye Name: (1-isobutyl-4-methyl-pent-4-en-2-ynyl) 2-methylbenzoate CAS Name: 2-methylbenzoic acid 2,7-dimethyloct-7-en-5-yn-4-yl ester IUPAC Name: 2,7-dimethyloct-7-en-5-yn-4-yl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid (1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C18H22O2 MolecularWeight: 270.36608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC(CC(C)C)C#CC(=C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC(CC(C)C)C#CC(=C)C

InChI

InChI=1S/C18H22O2/c1-13(2)10-11-16(12-14(3)4)20-18(19)17-9-7-6-8-15(17)5/h6-9,14,16H,1,12H2,2-5H3