2,6-dimethylnon-1-en-3-yn-5-yl 3-methylbenzoate

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl 3-methylbenzoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C19H24O2 MolecularWeight: 284.39266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C#CC(=C)C)OC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCCC(C)C(C#CC(=C)C)OC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C19H24O2/c1-6-8-16(5)18(12-11-14(2)3)21-19(20)17-10-7-9-15(4)13-17/h7,9-10,13,16,18H,2,6,8H2,1,3-5H3