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

Systemtic Name: [7-methyl-5,6-bis(oxidanyl)-1,3-dioxepan-4-yl]methyl benzoate Openeye Name: (5,6-dihydroxy-7-methyl-1,3-dioxepan-4-yl)methyl benzoate CAS Name: benzoic acid (5,6-dihydroxy-7-methyl-1,3-dioxepan-4-yl)methyl ester IUPAC Name: (5,6-dihydroxy-7-methyl-1,3-dioxepan-4-yl)methyl benzoate Traditional Name: benzoic acid (5,6-dihydroxy-7-methyl-1,3-dioxepan-4-yl)methyl ester Formula: C14H18O6 MolecularWeight: 282.28912

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(OCO1)COC(=O)C2=CC=CC=C2)O)O

Isomeric SMILES

CC1C(C(C(OCO1)COC(=O)C2=CC=CC=C2)O)O

InChI

InChI=1S/C14H18O6/c1-9-12(15)13(16)11(20-8-19-9)7-18-14(17)10-5-3-2-4-6-10/h2-6,9,11-13,15-16H,7-8H2,1H3