2-methyloct-5-yn-4-yl 4-ethylbenzoate

Systemtic Name: 2-methyloct-5-yn-4-yl 4-ethylbenzoate Openeye Name: 1-isobutylpent-2-ynyl 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid 1-isobutylpent-2-ynyl ester Formula: C18H24O2 MolecularWeight: 272.38196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24O2/c1-5-7-8-17(13-14(3)4)20-18(19)16-11-9-15(6-2)10-12-16/h9-12,14,17H,5-6,13H2,1-4H3