bis(2-ethylhexyl) bicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarboxylate

Systemtic Name: bis(2-ethylhexyl) bicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarboxylate Openeye Name: bis(2-ethylhexyl) bicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarboxylate CAS Name: bicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarboxylic acid bis(2-ethylhexyl) ester IUPAC Name: bis(2-ethylhexyl) bicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarboxylate Traditional Name: bicyclo[2.2.2]octa-2,5,7-triene-2,3-dicarboxylic acid bis(2-ethylhexyl) ester Formula: C26H40O4 MolecularWeight: 416.5934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=C(C2C=CC1C=C2)C(=O)OCC(CC)CCCC

Isomeric SMILES

CCCCC(CC)COC(=O)C1=C(C2C=CC1C=C2)C(=O)OCC(CC)CCCC

InChI

InChI=1S/C26H40O4/c1-5-9-11-19(7-3)17-29-25(27)23-21-13-15-22(16-14-21)24(23)26(28)30-18-20(8-4)12-10-6-2/h13-16,19-22H,5-12,17-18H2,1-4H3