[(E)-1-(1,3-dioxolan-2-yl)-14-(oxan-2-yloxy)tetradec-3-en-5-yn-2-yl] benzoate

Systemtic Name: [(E)-1-(1,3-dioxolan-2-yl)-14-(oxan-2-yloxy)tetradec-3-en-5-yn-2-yl] benzoate Openeye Name: [(E)-1-(1,3-dioxolan-2-ylmethyl)-13-tetrahydropyran-2-yloxy-tridec-2-en-4-ynyl] benzoate CAS Name: benzoic acid [(E)-1-(1,3-dioxolan-2-yl)-14-(2-oxanyloxy)tetradec-3-en-5-yn-2-yl] ester IUPAC Name: [(E)-1-(1,3-dioxolan-2-yl)-14-(oxan-2-yloxy)tetradec-3-en-5-yn-2-yl] benzoate Traditional Name: benzoic acid [(E)-1-(1,3-dioxolan-2-ylmethyl)-13-tetrahydropyran-2-yloxy-tridec-2-en-4-ynyl] ester Formula: C29H40O6 MolecularWeight: 484.6243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCCCCCCCC#CC=CC(CC2OCCO2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCOC(C1)OCCCCCCCCC#C/C=C/C(CC2OCCO2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H40O6/c30-29(25-16-10-9-11-17-25)35-26(24-28-33-22-23-34-28)18-12-7-5-3-1-2-4-6-8-14-20-31-27-19-13-15-21-32-27/h9-12,16-18,26-28H,1-4,6,8,13-15,19-24H2/b18-12+