[(4E,6E,12E)-1-acetyloxy-14-oxidanyl-tetradeca-4,6,12-trien-8,10-diyn-3-yl] 3-methylbut-2-enoate

Systemtic Name: [(4E,6E,12E)-1-acetyloxy-14-oxidanyl-tetradeca-4,6,12-trien-8,10-diyn-3-yl] 3-methylbut-2-enoate Openeye Name: [(2E,4E,10E)-1-(2-acetoxyethyl)-12-hydroxy-dodeca-2,4,10-trien-6,8-diynyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic acid [(4E,6E,12E)-1-acetyloxy-14-hydroxytetradeca-4,6,12-trien-8,10-diyn-3-yl] ester IUPAC Name: [(4E,6E,12E)-1-acetyloxy-14-hydroxytetradeca-4,6,12-trien-8,10-diyn-3-yl] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [(2E,4E,10E)-1-(2-acetoxyethyl)-12-hydroxy-dodeca-2,4,10-trien-6,8-diynyl] ester Formula: C21H24O5 MolecularWeight: 356.41226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC(CCOC(=O)C)C=CC=CC#CC#CC=CCO)C

Isomeric SMILES

CC(=CC(=O)OC(CCOC(=O)C)/C=C/C=C/C#CC#C/C=C/CO)C

InChI

InChI=1S/C21H24O5/c1-18(2)17-21(24)26-20(14-16-25-19(3)23)13-11-9-7-5-4-6-8-10-12-15-22/h7,9-13,17,20,22H,14-16H2,1-3H3/b9-7+,12-10+,13-11+