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

Systemtic Name: [2,3,4,5-tetrakis(oxidanyl)-6-(phenylcarbonyloxy)hexyl] benzoate; [4,5,6-tris(oxidanyl)-2,3-bis(phenylcarbonyloxy)hexyl] benzoate Openeye Name: (6-benzoyloxy-2,3,4,5-tetrahydroxy-hexyl) benzoate; (2,3-dibenzoyloxy-4,5,6-trihydroxy-hexyl) benzoate CAS Name: benzoic acid (6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl) ester; benzoic acid (2,3-dibenzoyloxy-4,5,6-trihydroxyhexyl) ester IUPAC Name: (6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl) benzoate; (2,3-dibenzoyloxy-4,5,6-trihydroxyhexyl) benzoate Traditional Name: benzoic acid (6-benzoyloxy-2,3,4,5-tetrahydroxy-hexyl) ester; benzoic acid (2,3-dibenzoyloxy-4,5,6-trihydroxy-hexyl) ester Formula: C47H48O17 MolecularWeight: 884.87382

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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)O)O)O)O.C1=CC=C(C=C1)C(=O)OCC(C(C(C(CO)O)O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H26O9.C20H22O8/c28-16-21(29)23(30)24(36-27(33)20-14-8-3-9-15-20)22(35-26(32)19-12-6-2-7-13-19)17-34-25(31)18-10-4-1-5-11-18;21-15(11-27-19(25)13-7-3-1-4-8-13)17(23)18(24)16(22)12-28-20(26)14-9-5-2-6-10-14/h1-15,21-24,28-30H,16-17H2;1-10,15-18,21-24H,11-12H2