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

Systemtic Name: 2,6-dimethylnon-1-en-3-yn-5-yl 2-methoxybenzoate Openeye Name: [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester IUPAC Name: 2,6-dimethylnon-1-en-3-yn-5-yl 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] ester Formula: C19H24O3 MolecularWeight: 300.39206

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C#CC(=C)C)OC(=O)C1=CC=CC=C1OC

Isomeric SMILES

CCCC(C)C(C#CC(=C)C)OC(=O)C1=CC=CC=C1OC

InChI

InChI=1S/C19H24O3/c1-6-9-15(4)17(13-12-14(2)3)22-19(20)16-10-7-8-11-18(16)21-5/h7-8,10-11,15,17H,2,6,9H2,1,3-5H3