[2,3,4-tris(oxidanyl)-5,6-bis(phenylcarbonyloxy)hexyl] benzoate

Systemtic Name: [2,3,4-tris(oxidanyl)-5,6-bis(phenylcarbonyloxy)hexyl] benzoate Openeye Name: (5,6-dibenzoyloxy-2,3,4-trihydroxy-hexyl) benzoate CAS Name: benzoic acid (5,6-dibenzoyloxy-2,3,4-trihydroxyhexyl) ester IUPAC Name: (5,6-dibenzoyloxy-2,3,4-trihydroxyhexyl) benzoate Traditional Name: benzoic acid (5,6-dibenzoyloxy-2,3,4-trihydroxy-hexyl) ester Formula: C27H26O9 MolecularWeight: 494.48994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(C(C(C(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(C(C(C(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O)O)O

InChI

InChI=1S/C27H26O9/c28-21(16-34-25(31)18-10-4-1-5-11-18)23(29)24(30)22(36-27(33)20-14-8-3-9-15-20)17-35-26(32)19-12-6-2-7-13-19/h1-15,21-24,28-30H,16-17H2