[2-ethenylidene-4,5-bis(oxidanyl)pentyl] benzoate

Systemtic Name: [2-ethenylidene-4,5-bis(oxidanyl)pentyl] benzoate Openeye Name: (4,5-dihydroxy-2-vinylidene-pentyl) benzoate CAS Name: benzoic acid (2-ethenylidene-4,5-dihydroxypentyl) ester IUPAC Name: (2-ethenylidene-4,5-dihydroxypentyl) benzoate Traditional Name: benzoic acid 2-glycerylbuta-2,3-dienyl ester Formula: C14H16O4 MolecularWeight: 248.27444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C=C(CC(CO)O)COC(=O)C1=CC=CC=C1

Isomeric SMILES

C=C=C(CC(CO)O)COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H16O4/c1-2-11(8-13(16)9-15)10-18-14(17)12-6-4-3-5-7-12/h3-7,13,15-16H,1,8-10H2