[5,6-bis(oxidanyl)-7-(phenylcarbonyloxymethyl)-1,3-dioxepan-4-yl]methyl benzoate

Systemtic Name: [5,6-bis(oxidanyl)-7-(phenylcarbonyloxymethyl)-1,3-dioxepan-4-yl]methyl benzoate Openeye Name: [7-(benzoyloxymethyl)-5,6-dihydroxy-1,3-dioxepan-4-yl]methyl benzoate CAS Name: benzoic acid [7-(benzoyloxymethyl)-5,6-dihydroxy-1,3-dioxepan-4-yl]methyl ester IUPAC Name: [7-(benzoyloxymethyl)-5,6-dihydroxy-1,3-dioxepan-4-yl]methyl benzoate Traditional Name: benzoic acid [7-(benzoyloxymethyl)-5,6-dihydroxy-1,3-dioxepan-4-yl]methyl ester Formula: C21H22O8 MolecularWeight: 402.39458

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Descriptors Computed from Structure

Canonical SMILES:

C1OC(C(C(C(O1)COC(=O)C2=CC=CC=C2)O)O)COC(=O)C3=CC=CC=C3

Isomeric SMILES

C1OC(C(C(C(O1)COC(=O)C2=CC=CC=C2)O)O)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22O8/c22-18-16(11-26-20(24)14-7-3-1-4-8-14)28-13-29-17(19(18)23)12-27-21(25)15-9-5-2-6-10-15/h1-10,16-19,22-23H,11-13H2