[3,4,6-tris(oxidanyl)-5-(phenylcarbonyloxy)cyclohexen-1-yl]methyl benzoate

Systemtic Name: [3,4,6-tris(oxidanyl)-5-(phenylcarbonyloxy)cyclohexen-1-yl]methyl benzoate Openeye Name: (5-benzoyloxy-3,4,6-trihydroxy-cyclohexen-1-yl)methyl benzoate CAS Name: benzoic acid (5-benzoyloxy-3,4,6-trihydroxy-1-cyclohexenyl)methyl ester IUPAC Name: (5-benzoyloxy-3,4,6-trihydroxycyclohexen-1-yl)methyl benzoate Traditional Name: benzoic acid (5-benzoyloxy-3,4,6-trihydroxy-cyclohexen-1-yl)methyl ester Formula: C21H20O7 MolecularWeight: 384.3793

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2=CC(C(C(C2O)OC(=O)C3=CC=CC=C3)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2=CC(C(C(C2O)OC(=O)C3=CC=CC=C3)O)O

InChI

InChI=1S/C21H20O7/c22-16-11-15(12-27-20(25)13-7-3-1-4-8-13)17(23)19(18(16)24)28-21(26)14-9-5-2-6-10-14/h1-11,16-19,22-24H,12H2