bis[(3R)-3,5,5-trimethylhexyl] benzene-1,2-dicarboxylate

Systemtic Name: bis[(3R)-3,5,5-trimethylhexyl] benzene-1,2-dicarboxylate Openeye Name: bis[(3R)-3,5,5-trimethylhexyl] benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid bis[(3R)-3,5,5-trimethylhexyl] ester IUPAC Name: bis[(3R)-3,5,5-trimethylhexyl] benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis[(3R)-3,5,5-trimethylhexyl] ester Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C

Isomeric SMILES

C[C@@H](CCOC(=O)C1=CC=CC=C1C(=O)OCC[C@H](C)CC(C)(C)C)CC(C)(C)C

InChI

InChI=1S/C26H42O4/c1-19(17-25(3,4)5)13-15-29-23(27)21-11-9-10-12-22(21)24(28)30-16-14-20(2)18-26(6,7)8/h9-12,19-20H,13-18H2,1-8H3/t19-,20-/m0/s1