bis(phenylmethyl) 2-[(E)-4-acetyloxybut-2-enyl]-2-[(1S)-3-oxidanylidenecyclopentyl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[(E)-4-acetyloxybut-2-enyl]-2-[(1S)-3-oxidanylidenecyclopentyl]propanedioate Openeye Name: dibenzyl 2-[(E)-4-acetoxybut-2-enyl]-2-[(1S)-3-oxocyclopentyl]propanedioate CAS Name: 2-[(E)-4-acetyloxybut-2-enyl]-2-[(1S)-3-oxocyclopentyl]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[(E)-4-acetyloxybut-2-enyl]-2-[(1S)-3-oxocyclopentyl]propanedioate Traditional Name: 2-[(E)-4-acetoxybut-2-enyl]-2-[(1S)-3-ketocyclopentyl]malonic acid dibenzyl ester Formula: C28H30O7 MolecularWeight: 478.5336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC=CCC(C1CCC(=O)C1)(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC/C=C/CC([C@H]1CCC(=O)C1)(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H30O7/c1-21(29)33-17-9-8-16-28(24-14-15-25(30)18-24,26(31)34-19-22-10-4-2-5-11-22)27(32)35-20-23-12-6-3-7-13-23/h2-13,24H,14-20H2,1H3/b9-8+/t24-/m0/s1