bis(9-octylicosan-9-yl) (E)-but-2-enedioate

Systemtic Name: bis(9-octylicosan-9-yl) (E)-but-2-enedioate Openeye Name: bis(1,1-dioctyldodecyl) (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid bis(9-octyleicosan-9-yl) ester IUPAC Name: bis(9-octylicosan-9-yl) (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid bis(1,1-dioctyldodecyl) ester Formula: C60H116O4 MolecularWeight: 901.56064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCCCC)(CCCCCCCC)OC(=O)C=CC(=O)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(CCCCCCCC)(CCCCCCCC)OC(=O)/C=C/C(=O)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCCCCC

InChI

InChI=1S/C60H116O4/c1-7-13-19-25-31-33-35-41-47-55-59(51-43-37-27-21-15-9-3,52-44-38-28-22-16-10-4)63-57(61)49-50-58(62)64-60(53-45-39-29-23-17-11-5,54-46-40-30-24-18-12-6)56-48-42-36-34-32-26-20-14-8-2/h49-50H,7-48,51-56H2,1-6H3/b50-49+