2,6-dimethylnon-1-en-3-yn-5-yl 4-methylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24O2/c1-6-7-16(5)18(13-8-14(2)3)21-19(20)17-11-9-15(4)10-12-17/h9-12,16,18H,2,6-7H2,1,3-5H3