2,3,4,5,6-pentakis(phenylcarbonyloxy)hexanoic acid

Systemtic Name: 2,3,4,5,6-pentakis(phenylcarbonyloxy)hexanoic acid Openeye Name: 2,3,4,5,6-pentabenzoyloxyhexanoic acid CAS Name: 2,3,4,5,6-pentabenzoyloxyhexanoic acid IUPAC Name: 2,3,4,5,6-pentabenzoyloxyhexanoic acid Traditional Name: 2,3,4,5,6-pentabenzoyloxyhexanoic acid Formula: C41H32O12 MolecularWeight: 716.68558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(C(C(C(C(=O)O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(C(C(C(C(=O)O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C41H32O12/c42-36(43)35(53-41(48)31-24-14-5-15-25-31)34(52-40(47)30-22-12-4-13-23-30)33(51-39(46)29-20-10-3-11-21-29)32(50-38(45)28-18-8-2-9-19-28)26-49-37(44)27-16-6-1-7-17-27/h1-25,32-35H,26H2,(H,42,43)