8-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]octanoic acid

Systemtic Name: 8-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]octanoic acid Openeye Name: 8-[3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]octanoic acid CAS Name: 8-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]octanoic acid IUPAC Name: 8-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]octanoic acid Traditional Name: 8-[3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]caprylic acid Formula: C42H50O7 MolecularWeight: 666.8422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(C(O2)CCCCCCCC(=O)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COCC2C(C(C(C(O2)CCCCCCCC(=O)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C42H50O7/c43-39(44)27-17-3-1-2-16-26-37-40(46-29-34-20-10-5-11-21-34)42(48-31-36-24-14-7-15-25-36)41(47-30-35-22-12-6-13-23-35)38(49-37)32-45-28-33-18-8-4-9-19-33/h4-15,18-25,37-38,40-42H,1-3,16-17,26-32H2,(H,43,44)