bis[(E)-tetratriacont-25-en-16-yl] benzene-1,2-dicarboxylate

Systemtic Name: bis[(E)-tetratriacont-25-en-16-yl] benzene-1,2-dicarboxylate Openeye Name: bis[(E)-1-pentadecylnonadec-10-enyl] benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid bis[(E)-tetratriacont-25-en-16-yl] ester IUPAC Name: bis[(E)-tetratriacont-25-en-16-yl] benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis[(E)-1-pentadecylnonadec-10-enyl] ester Formula: C76H138O4 MolecularWeight: 1115.90652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCCCCCCCC=CCCCCCCCC)OC(=O)C1=CC=CC=C1C(=O)OC(CCCCCCCCCCCCCCC)CCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(OC(=O)C1=CC=CC=C1C(=O)OC(CCCCCCCC/C=C/CCCCCCCC)CCCCCCCCCCCCCCC)CCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C76H138O4/c1-5-9-13-17-21-25-29-33-35-37-41-45-49-53-57-61-67-71(65-59-55-51-47-43-39-31-27-23-19-15-11-7-3)79-75(77)73-69-63-64-70-74(73)76(78)80-72(66-60-56-52-48-44-40-32-28-24-20-16-12-8-4)68-62-58-54-50-46-42-38-36-34-30-26-22-18-14-10-6-2/h33-36,63-64,69-72H,5-32,37-62,65-68H2,1-4H3/b35-33+,36-34+