[(5R,6R)-6-acetyloxy-5-[(E)-3-phenylprop-2-enoyl]oxy-cyclohexa-1,3-dien-1-yl]methyl benzoate

Systemtic Name: [(5R,6R)-6-acetyloxy-5-[(E)-3-phenylprop-2-enoyl]oxy-cyclohexa-1,3-dien-1-yl]methyl benzoate Openeye Name: [(5R,6R)-6-acetoxy-5-[(E)-3-phenylprop-2-enoyl]oxy-cyclohexa-1,3-dien-1-yl]methyl benzoate CAS Name: benzoic acid [(5R,6R)-6-acetyloxy-5-[(E)-1-oxo-3-phenylprop-2-enoxy]-1-cyclohexa-1,3-dienyl]methyl ester IUPAC Name: [(5R,6R)-6-acetyloxy-5-[(E)-3-phenylprop-2-enoyl]oxycyclohexa-1,3-dien-1-yl]methyl benzoate Traditional Name: benzoic acid [(5R,6R)-6-acetoxy-5-[(E)-3-phenylacryloyl]oxy-cyclohexa-1,3-dien-1-yl]methyl ester Formula: C25H22O6 MolecularWeight: 418.43858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C=CC=C1COC(=O)C2=CC=CC=C2)OC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](C=CC=C1COC(=O)C2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H22O6/c1-18(26)30-24-21(17-29-25(28)20-11-6-3-7-12-20)13-8-14-22(24)31-23(27)16-15-19-9-4-2-5-10-19/h2-16,22,24H,17H2,1H3/b16-15+/t22-,24-/m1/s1