[(3R,4S,5R)-6-oxidanylidene-4,5-bis(phenylcarbonyloxy)hex-1-en-3-yl] benzoate

Systemtic Name: [(3R,4S,5R)-6-oxidanylidene-4,5-bis(phenylcarbonyloxy)hex-1-en-3-yl] benzoate Openeye Name: [(1R,2S,3R)-2,3-dibenzoyloxy-4-oxo-1-vinyl-butyl] benzoate CAS Name: benzoic acid [(3R,4S,5R)-4,5-dibenzoyloxy-6-oxohex-1-en-3-yl] ester IUPAC Name: [(3R,4S,5R)-4,5-dibenzoyloxy-6-oxohex-1-en-3-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1S,2R)-1,2-dibenzoyloxy-3-keto-propyl]allyl] ester Formula: C27H22O7 MolecularWeight: 458.45938

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(C(C=O)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C=C[C@H]([C@@H]([C@H](C=O)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H22O7/c1-2-22(32-25(29)19-12-6-3-7-13-19)24(34-27(31)21-16-10-5-11-17-21)23(18-28)33-26(30)20-14-8-4-9-15-20/h2-18,22-24H,1H2/t22-,23+,24+/m1/s1