[(Z)-5-(acetyloxymethyl)-4-chloranyl-5-oxidanyl-6-(phenylcarbonyloxy)hex-2-enyl] benzoate

Systemtic Name: [(Z)-5-(acetyloxymethyl)-4-chloranyl-5-oxidanyl-6-(phenylcarbonyloxy)hex-2-enyl] benzoate Openeye Name: [(Z)-5-(acetoxymethyl)-6-benzoyloxy-4-chloro-5-hydroxy-hex-2-enyl] benzoate CAS Name: benzoic acid [(Z)-5-(acetyloxymethyl)-6-benzoyloxy-4-chloro-5-hydroxyhex-2-enyl] ester IUPAC Name: [(Z)-5-(acetyloxymethyl)-6-benzoyloxy-4-chloro-5-hydroxyhex-2-enyl] benzoate Traditional Name: benzoic acid [(Z)-5-(acetoxymethyl)-6-benzoyloxy-4-chloro-5-hydroxy-hex-2-enyl] ester Formula: C23H23ClO7 MolecularWeight: 446.87752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(COC(=O)C1=CC=CC=C1)(C(C=CCOC(=O)C2=CC=CC=C2)Cl)O

Isomeric SMILES

CC(=O)OCC(COC(=O)C1=CC=CC=C1)(C(/C=C\COC(=O)C2=CC=CC=C2)Cl)O

InChI

InChI=1S/C23H23ClO7/c1-17(25)30-15-23(28,16-31-22(27)19-11-6-3-7-12-19)20(24)13-8-14-29-21(26)18-9-4-2-5-10-18/h2-13,20,28H,14-16H2,1H3/b13-8-