[1,3,3,6-tetrakis(oxidanyl)-2-oxidanylidene-cyclohexyl]methyl benzoate

Systemtic Name: [1,3,3,6-tetrakis(oxidanyl)-2-oxidanylidene-cyclohexyl]methyl benzoate Openeye Name: (1,3,3,6-tetrahydroxy-2-oxo-cyclohexyl)methyl benzoate CAS Name: benzoic acid (1,3,3,6-tetrahydroxy-2-oxocyclohexyl)methyl ester IUPAC Name: (1,3,3,6-tetrahydroxy-2-oxocyclohexyl)methyl benzoate Traditional Name: benzoic acid (1,3,3,6-tetrahydroxy-2-keto-cyclohexyl)methyl ester Formula: C14H16O7 MolecularWeight: 296.27264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C(C1O)(COC(=O)C2=CC=CC=C2)O)(O)O

Isomeric SMILES

C1CC(C(=O)C(C1O)(COC(=O)C2=CC=CC=C2)O)(O)O

InChI

InChI=1S/C14H16O7/c15-10-6-7-14(19,20)12(17)13(10,18)8-21-11(16)9-4-2-1-3-5-9/h1-5,10,15,18-20H,6-8H2