2-[3,4,5-tris(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)oxan-2-yl]oxyethanoic acid

Systemtic Name: 2-[3,4,5-tris(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)oxan-2-yl]oxyethanoic acid Openeye Name: 2-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-2-yl]oxyacetic acid CAS Name: 2-[[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)-2-oxanyl]oxy]acetic acid IUPAC Name: 2-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyacetic acid Traditional Name: 2-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-2-yl]oxyacetic acid Formula: C36H30O12 MolecularWeight: 654.6162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OCC(=O)O)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)OCC2C(C(C(C(O2)OCC(=O)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C36H30O12/c37-28(38)22-44-36-31(48-35(42)26-19-11-4-12-20-26)30(47-34(41)25-17-9-3-10-18-25)29(46-33(40)24-15-7-2-8-16-24)27(45-36)21-43-32(39)23-13-5-1-6-14-23/h1-20,27,29-31,36H,21-22H2,(H,37,38)