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

Systemtic Name: [(E)-1-(1,3-dioxolan-2-yl)-14-oxidanyl-tetradec-3-en-5-yn-2-yl] benzoate Openeye Name: [(E)-1-(1,3-dioxolan-2-ylmethyl)-13-hydroxy-tridec-2-en-4-ynyl] benzoate CAS Name: benzoic acid [(E)-1-(1,3-dioxolan-2-yl)-14-hydroxytetradec-3-en-5-yn-2-yl] ester IUPAC Name: [(E)-1-(1,3-dioxolan-2-yl)-14-hydroxytetradec-3-en-5-yn-2-yl] benzoate Traditional Name: benzoic acid [(E)-1-(1,3-dioxolan-2-ylmethyl)-13-hydroxy-tridec-2-en-4-ynyl] ester Formula: C24H32O5 MolecularWeight: 400.50788

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)CC(C=CC#CCCCCCCCCO)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C1COC(O1)CC(/C=C/C#CCCCCCCCCO)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H32O5/c25-17-13-8-6-4-2-1-3-5-7-12-16-22(20-23-27-18-19-28-23)29-24(26)21-14-10-9-11-15-21/h9-12,14-16,22-23,25H,1-4,6,8,13,17-20H2/b16-12+