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

Systemtic Name: [(E)-1-(1,3-dioxolan-2-yl)-14-methoxy-14-oxidanylidene-tetradec-3-en-5-yn-2-yl] benzoate Openeye Name: [(E)-1-(1,3-dioxolan-2-ylmethyl)-13-methoxy-13-oxo-tridec-2-en-4-ynyl] benzoate CAS Name: benzoic acid [(E)-1-(1,3-dioxolan-2-yl)-14-methoxy-14-oxotetradec-3-en-5-yn-2-yl] ester IUPAC Name: [(E)-1-(1,3-dioxolan-2-yl)-14-methoxy-14-oxotetradec-3-en-5-yn-2-yl] benzoate Traditional Name: benzoic acid [(E)-1-(1,3-dioxolan-2-ylmethyl)-13-keto-13-methoxy-tridec-2-en-4-ynyl] ester Formula: C25H32O6 MolecularWeight: 428.51798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCC#CC=CC(CC1OCCO1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCCCC#C/C=C/C(CC1OCCO1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H32O6/c1-28-23(26)17-13-8-6-4-2-3-5-7-12-16-22(20-24-29-18-19-30-24)31-25(27)21-14-10-9-11-15-21/h9-12,14-16,22,24H,2-4,6,8,13,17-20H2,1H3/b16-12+