2-[2-[4-[[(2S,3R,5S,6R)-2,3,5-tris[4-[2-(1,3-dioxolan-2-yl)phenyl]butoxymethyl]-6-bicyclo[2.2.2]oct-7-enyl]methoxy]butyl]phenyl]-1,3-dioxolane

Systemtic Name: 2-[2-[4-[[(2S,3R,5S,6R)-2,3,5-tris[4-[2-(1,3-dioxolan-2-yl)phenyl]butoxymethyl]-6-bicyclo[2.2.2]oct-7-enyl]methoxy]butyl]phenyl]-1,3-dioxolane Openeye Name: 2-[2-[4-[[(2S,3R,5S,6R)-2,3,5-tris[4-[2-(1,3-dioxolan-2-yl)phenyl]butoxymethyl]-6-bicyclo[2.2.2]oct-7-enyl]methoxy]butyl]phenyl]-1,3-dioxolane CAS Name: 2-[2-[4-[[(2S,3R,5S,6R)-2,3,5-tris[4-[2-(1,3-dioxolan-2-yl)phenyl]butoxymethyl]-6-bicyclo[2.2.2]oct-7-enyl]methoxy]butyl]phenyl]-1,3-dioxolane IUPAC Name: 2-[2-[4-[[(2S,3R,5S,6R)-2,3,5-tris[4-[2-(1,3-dioxolan-2-yl)phenyl]butoxymethyl]-6-bicyclo[2.2.2]oct-7-enyl]methoxy]butyl]phenyl]-1,3-dioxolane Traditional Name: 2-[2-[4-[[(2S,3R,5S,6R)-2,3,5-tris[4-[2-(1,3-dioxolan-2-yl)phenyl]butoxymethyl]-6-bicyclo[2.2.2]oct-7-enyl]methoxy]butyl]phenyl]-1,3-dioxolane Formula: C64H84O12 MolecularWeight: 1045.34456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)C2=CC=CC=C2CCCCOCC3C4C=CC(C3COCCCCC5=CC=CC=C5C6OCCO6)C(C4COCCCCC7=CC=CC=C7C8OCCO8)COCCCCC9=CC=CC=C9C1OCCO1

Isomeric SMILES

C1COC(O1)C2=CC=CC=C2CCCCOC[C@@H]3[C@@H](C4C=CC3[C@H]([C@H]4COCCCCC5=CC=CC=C5C6OCCO6)COCCCCC7=CC=CC=C7C8OCCO8)COCCCCC9=CC=CC=C9C1OCCO1

InChI

InChI=1S/C64H84O12/c1-5-25-51(61-69-35-36-70-61)47(17-1)21-9-13-31-65-43-57-55-29-30-56(58(57)44-66-32-14-10-22-48-18-2-6-26-52(48)62-71-37-38-72-62)60(46-68-34-16-12-24-50-20-4-8-28-54(50)64-75-41-42-76-64)59(55)45-67-33-15-11-23-49-19-3-7-27-53(49)63-73-39-40-74-63/h1-8,17-20,25-30,55-64H,9-16,21-24,31-46H2/t55?,56?,57-,58+,59+,60-