bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl) heptanedioate

Systemtic Name: bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl) heptanedioate Openeye Name: bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl) heptanedioate CAS Name: heptanedioic acid bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl) ester IUPAC Name: bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl) heptanedioate Traditional Name: pimelic acid bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl) ester Formula: C37H52O14 MolecularWeight: 720.80038

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOC2=C(C=C(C=C2)COC(=O)CCCCCC(=O)OCC3=CC4=C(C=C3)OCCOCCOCCOCCO4)OCCOCCO1

Isomeric SMILES

C1COCCOC2=C(C=C(C=C2)COC(=O)CCCCCC(=O)OCC3=CC4=C(C=C3)OCCOCCOCCOCCO4)OCCOCCO1

InChI

InChI=1S/C37H52O14/c38-36(50-28-30-6-8-32-34(26-30)48-24-20-44-16-12-40-10-14-42-18-22-46-32)4-2-1-3-5-37(39)51-29-31-7-9-33-35(27-31)49-25-21-45-17-13-41-11-15-43-19-23-47-33/h6-9,26-27H,1-5,10-25,28-29H2