[2-methyl-4,5-bis(oxidanyl)oxan-3-yl] benzoate

Systemtic Name: [2-methyl-4,5-bis(oxidanyl)oxan-3-yl] benzoate Openeye Name: (4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl) benzoate CAS Name: benzoic acid (4,5-dihydroxy-2-methyl-3-oxanyl) ester IUPAC Name: (4,5-dihydroxy-2-methyloxan-3-yl) benzoate Traditional Name: benzoic acid (4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl) ester Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(CO1)O)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1C(C(C(CO1)O)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16O5/c1-8-12(11(15)10(14)7-17-8)18-13(16)9-5-3-2-4-6-9/h2-6,8,10-12,14-15H,7H2,1H3