2-[3,4-bis[[(E)-octadec-9-enoyl]oxy]phenyl]ethyl (E)-octadec-9-enoate

Systemtic Name: 2-[3,4-bis[[(E)-octadec-9-enoyl]oxy]phenyl]ethyl (E)-octadec-9-enoate Openeye Name: 2-[3,4-bis[[(E)-octadec-9-enoyl]oxy]phenyl]ethyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid 2-[3,4-bis[(E)-1-oxooctadec-9-enoxy]phenyl]ethyl ester IUPAC Name: 2-[3,4-bis[[(E)-octadec-9-enoyl]oxy]phenyl]ethyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid 2-[3,4-bis[[(E)-octadec-9-enoyl]oxy]phenyl]ethyl ester Formula: C62H106O6 MolecularWeight: 947.50144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCC1=CC(=C(C=C1)OC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCCC1=CC(=C(C=C1)OC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C62H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-60(63)66-55-54-57-52-53-58(67-61(64)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)59(56-57)68-62(65)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30,52-53,56H,4-24,31-51,54-55H2,1-3H3/b28-25+,29-26+,30-27+